| Name: | Mariusz Klobukowski |
| Department: | Department of Chemistry |
| Organisation: | University of Alberta |
| E-Mail: | mariusz@qc.chem.ualberta.ca |
| Comments: | visualization of results from Gaussian 92 and 94 |
| Computer System: | SUN Sparc (Solaris 2.4); RS/6000 m. 590 (aix 3.2) |
| Name: | Roland Janke |
| Department: | Organisch-Chemisches Institut |
| Organisation: | Westfaelische Wilhelms-Universitaet Muenster |
| E-Mail: | janker@uni-muenster.de |
| Comments: | - MOPAC- Gaussian (in case of GAUSSIAN 94 I was only able to load input files !)- I would like to use molden on LINUX, but I had no succes to compile Did you heard about a running LINUX-MOLDEN-version?We like molden !Greetings, Roland |
| Computer System: | AIX |
| Name: | Hillary S. R. Gilson |
| Department: | Biotechnology division |
| Organisation: | NIST/CARB National Institute of Standards and Technology/ Center for Advanced Research in Biotechnology |
| E-Mail: | hillary@indigo15.carb.nist.gov |
| Comments: | We use Molden to examine output from quantumcalculations generated by gaussian and gammes.We greatly appreciate use of this program. |
| Computer System: | SGI INDIGO 2 |
| Name: | Bruce A. Luxon |
| Department: | Sealy Center for Structural Biology |
| Organisation: | University of Texas Medical Branch |
| E-Mail: | bruce@nmr.utmb.edu |
| Comments: | Visual G94 calculations on biomolecular modelsystems |
| Computer System: | Silicon Graphics Indigo2 R4400 Extreme |
| Name: | Achim Kless |
| Department: | AG Asymmetrische Katalyse |
| Organisation: | Max-Planck-Gesellschaft |
| E-Mail: | nfc015@cks1.rz.uni-rostock.de |
| Comments: | Output/Input Gaussian 92/94 |
| Computer System: | IBM RS/6000 Mod.250 64MB/6GB |
| Name: | Kurt Glaesemann |
| Department: | Chemistry |
| Organisation: | Iowa State University |
| E-Mail: | kurt@si.fi.ameslab.gov |
| Comments: | To visualize molecular orbitals and electron densities of molecules. |
| Computer System: | RS/6000, SGI, AXP |
| Name: | Steven D. Bennett |
| Department: | Department of Chemistry |
| Organisation: | University of Delaware |
| E-Mail: | sbennett@wotan.duch.udel.edu |
| Comments: | Visualization of GAMESS and Gaussian output |
| Computer System: | SGI |
| Name: | Dr. Jim Briggs |
| Department: | Department of Chemistry |
| Organisation: | University of California, San Diego |
| E-Mail: | jmbriggs@ucsd.edu |
| Comments: | To view molecular densities of molecules computed withthe Gaussian program |
| Computer System: | SGI |
| Name: | Martijn Wehrens |
| Department: | Theoretische Chemie |
| Organisation: | Universiteit Utrecht |
| E-Mail: | m.g.d.wehrens@chem.ruu.nl |
| Comments: | Gewoon eens even kijken wat het is.Het lijkt me BIJZONDER handig.Vooral ook de Z-Mat editor. Daardoor zullen studenten hier wel geholpen kunneworden.Probleem: niet zo heel erg stabiel... |
| Computer System: | SGI irix 5.2 |
| Name: | Cristian Gabriel Sanchez |
| Department: | Departamento de Fiscoquimica |
| Organisation: | Universidad Nacional de Cordoba - Facultad de Ciencias Quimicas |
| E-Mail: | csanchez@fisquim.uncor.edu |
| Comments: | Visualization of GAMESS output. |
| Computer System: | Linux |
| Name: | Ungsik Yu |
| Department: | Supercomputing Applications |
| Organisation: | Samsung Adv. Inst. Tech. |
| E-Mail: | ungsik@radon.sait.samsung.co.kr |
| Comments: | |
| Computer System: | SGI |
| Name: | Jai K. Shin |
| Department: | Department of Supercomputer Applications |
| Organisation: | Samsung Advanced Institute of Technology |
| E-Mail: | jkshin@neon.sait.samsung.co.kr |
| Comments: | |
| Computer System: | |
| Name: | Jose Manuel Martinez Fernandez |
| Department: | Physical Chemistry |
| Organisation: | University of Sevilla |
| E-Mail: | jmmartin@cica.es; josema@mozart.us.es |
| Comments: | display gaussian94 outputs |
| Computer System: | HP-UX, linux |
| Name: | Fredrik Boekman |
| Department: | Dept of Organic Chemistry |
| Organisation: | Uppsala University |
| E-Mail: | fredrik@donau.kemi.uu.se |
| Comments: | View of Gamess(US) and Gaussian92 output,haven't tested yet. |
| Computer System: | DEC alpha 300 |
| Name: | Viktor Pilepic |
| Department: | Physical Chemistry Departement |
| Organisation: | Faculty of Pharmacy and Biochemistry |
| E-Mail: | viktor@nana.pharma.hr |
| Comments: | Visualization of calculated orbitals. |
| Computer System: | DEC Ultrix |
| Name: | Jaime E. Combariza |
| Department: | Cneter for Computing and Information Technology |
| Organisation: | University of Arizona |
| E-Mail: | jaimeco@arizona.edu |
| Comments: | I will use Molden to plot density diferences as well as MO plots.Will find more as sson as I get hte documentation |
| Computer System: | Unix |
| Name: | Karl Irikura |
| Department: | Chemical Kinetics & Thermodynamics Division |
| Organisation: | National Institute of Standards & Technology |
| E-Mail: | irikura@enh.nist.gov |
| Comments: | viewing MOs from Gaussian, GAMESS-US |
| Computer System: | IBM RS/6000 AIX |
| Name: | Bettina Granzow |
| Department: | |
| Organisation: | |
| E-Mail: | granzow@unileoben.ac.at |
| Comments: | Visualization of GAMESS US- output and animation of molecular vibrations |
| Computer System: | |
| Name: | Tetsuyoshi Takeshita |
| Department: | Electronics and Information Engineering |
| Organisation: | Ishikawa National College of Technology |
| E-Mail: | ttake@i.ishikawa-nct.ac.jp |
| Comments: | Many thanks. |
| Computer System: | Sun SunOS4.1.3 |
| Name: | Permi Perttu |
| Department: | Department of Chemistry, structural chemistry section |
| Organisation: | University of Oulu |
| E-Mail: | ppermi@ernst.oulu.fi |
| Comments: | I think it is good that I can look results from gamess output with graphical interface. I'm doing my miniprojectand I have visualized my molecule with yuor program.I have only tested the program for couple of hours butI think it is really nice. |
| Computer System: | Intel Pentium PC running Linux 1.2.13 |
| Name: | Pedro A M Vazquez |
| Department: | Fisico Quimica |
| Organisation: | Instituto de Quimica - Universidade Estadual de Campinas |
| E-Mail: | vazquez@iqm.unicamp.br |
| Comments: | To teach graduate and undergraduate coursesand to do research |
| Computer System: | Pentium100 running FreeBSD |
| Name: | Heribert Adamsky |
| Department: | Institut fer Theoretische hemie |
| Organisation: | Heinrich-Heine-Universitaet Duesseldorf |
| E-Mail: | heribert@theochem.uni-duesseldof.de |
| Comments: | Structure and orbital plots of transition metalcomplexes, animation of normal coordinates.Generation of Z matrix input (a very useful featureof Molden!). I use Molden in combination with the US version of GAMESS and as a stand alone Generator of Molecular Structures. I run it alsoon my Linux machine. |
| Computer System: | Solaris |
| Name: | Dr. Daniel L. Severance |
| Department: | R6W-002 |
| Organisation: | Roche Bioscience |
| E-Mail: | dan@sage.syntex.com |
| Comments: | I would like to use to to view GAMESS and G94 outputof densities and density differences.I've not downloaded it since you specify non-profit.I don't have too much use for ab initio here at Rocheexcept for personal research, but I still don't qualifyas non-profit. |
| Computer System: | SGI |
| Name: | H.J.J. van Dam |
| Department: | Scheikunde, Universiteit Utrecht |
| Organisation: | Vakgroep Theoretische Chemie |
| E-Mail: | h.j.j.vandam@chem.ruu.nl |
| Comments: | Inspecteren van Z-matrices |
| Computer System: | Silicon Graphics |
| Name: | Toshimasa Ishida |
| Department: | Chemistry, Ex-Fac. Liberal Arts |
| Organisation: | Shizuoka University |
| E-Mail: | ishida-t@la.shizuoka.ac.jp |
| Comments: | I appreciate the effort of developing your excelent program system MOLDEN.I am planing to use the output of MOLDEN as a part of my Homepage,and linking MOLDEN homepage. Thank you. |
| Computer System: | HP9000 715/33 |
| Name: | Julius Su |
| Department: | Department of Chemical Physics |
| Organisation: | California Institute of Techology |
| E-Mail: | jsu@cco.caltech.edu |
| Comments: | Visualization of molecular orbitals and electrostaticpotential surfaces. |
| Computer System: | Pentium system |
| Name: | Michael Hartmann |
| Department: | Computer-Chemie-Centrum |
| Organisation: | Univ. Erlangen-Nuernberg |
| E-Mail: | hartmann@ccc.uni-erlangen.de |
| Comments: | viewing Gaussian94, MOPAC and VAMP outputs andcreating inputs for these programs |
| Computer System: | Linux and Unix |
| Name: | Jochen Buehler |
| Department: | Faculty in Chemistry |
| Organisation: | University of Konstanz |
| E-Mail: | buehler@chclu.chemie.uni-konstanz.de |
| Comments: | Visualize orbitals from Gaussian94 runs |
| Computer System: | Linux |
| Name: | M. Edward Grice |
| Department: | Chemistry |
| Organisation: | University of New Orleans |
| E-Mail: | megcm@uno.edu |
| Comments: | Molden will be used mainly for viewing electrondensities calculated by Gaussian 94. |
| Computer System: | IBM RS/6000 AIX 3.2.5 |
| Name: | Wolfgang Roth |
| Department: | Institut fuer Phzsikalische Chemie und Elektrochemie I |
| Organisation: | Heinrich-Heine-Universitaet |
| E-Mail: | rothw@uni-duesseldorf.de |
| Comments: | animation of Gaussian 92 and 94 normal vibrations of large molecules.Currently unsing Molden 2.7 from Your FTP-server.The tarfile of version 2.8 seems to be corrupt!Yours Wolfgang Roth |
| Computer System: | UNIX (SGI) |
| Name: | Artem Masunov |
| Department: | Chemistry Department |
| Organisation: | Hunter College |
| E-Mail: | amasunov@shiva.hunter.cuny.edu |
| Comments: | Gaussian94 vibrations animation |
| Computer System: | IBM RS6000 |
| Name: | Yuji Miyahara |
| Department: | Department of Chemistry, Faculty of Science |
| Organisation: | Kyushu University |
| E-Mail: | miyahscc@mbox.nc.kyushu-u.ac.jp |
| Comments: | Analysis of MOPAC and Gaussian results to design and analize cyclophanes and other unnatural compounds |
| Computer System: | Indigo 2 |
| Name: | Toshiyuki Hata |
| Department: | Department of Knowledge-Based Information Enginnering |
| Organisation: | Toyohashi University of Technology |
| E-Mail: | hata@cochem2.tutkie.tut.ac.jp |
| Comments: | Research for Fullerene |
| Computer System: | Linux |
| Name: | Thomas Steinke |
| Department: | High Performance Computer Center |
| Organisation: | Konrad-Zuse-Zentrum Berlin (ZIB) |
| E-Mail: | Steinke@ZIB-Berlin.DE |
| Comments: | Interface to GAMESS-UK, GAMESS-US |
| Computer System: | SGI PowerIndigo^2 |
| Name: | Seiji Mori |
| Department: | Department of Chemistry |
| Organisation: | University of Tokyo |
| E-Mail: | smori@utsc.s.u-tokyo.ac.jp |
| Comments: | visualization of electorn density and MOswith ab initio calculation. |
| Computer System: | IBM RS/6000 320 |
| Name: | Bih-Yaw Jin |
| Department: | Dept. of Chemistry |
| Organisation: | National Taiwan University |
| E-Mail: | jin@hydrogen.ch.ntu.edu.tw |
| Comments: | To view the electronic structure of molecule |
| Computer System: | DECalpha |
| Name: | ANGYAN Janos |
| Department: | Laboratoire de Chimie theorique |
| Organisation: | Universite Henri POincare |
| E-Mail: | angyan@lctn.u-nancy.fr |
| Comments: | Educational purposes (graduate course on Molecular Modeling). Analysis of Gaussian results. |
| Computer System: | IBM - RS6000 |
| Name: | Rohit Batra |
| Department: | Chemistry |
| Organisation: | St. Johanns Ring 19 |
| E-Mail: | batra@anne.chemie.unibas.ch |
| Comments: | |
| Computer System: | RS600 |
| Name: | Carlos P. Sosa |
| Department: | Chemical Applications |
| Organisation: | Cray Research Inc |
| E-Mail: | cpsosa@cray.com |
| Comments: | Display Gaussian 94, molecules, orbitals etc. |
| Computer System: | SGI Indigo |
| Name: | Daniel Lawson |
| Department: | Chemistry |
| Organisation: | Michigan State University |
| E-Mail: | lawson@bohr.cem.msu.edu |
| Comments: | Visualization of electronic structure and vibrational modes of small molecules. Gaussianand GAMESS_US. |
| Computer System: | SGI/LINUX |
| Name: | Steen Hammerum |
| Department: | Department of Chemistry |
| Organisation: | University of Copenhagen |
| E-Mail: | steen@kiku.dk |
| Comments: | To visualize the results of Gaussian 92/94calculations |
| Computer System: | HP-UX/9.0, IRIX6.1 |
| Name: | MUGUET Francis |
| Department: | L.O.A |
| Organisation: | E.N.S.T.A - Ecole Polytechnique |
| E-Mail: | muguet@enstay.ensta.fr |
| Comments: | I am going to test and try MOLDEN to visualize MOs computed with GAMESS. I got your adress from a msg in the computationalchemistry list, telling your program was "the best". Regards Francis |
| Computer System: | Linux |
| Name: | Sulev Sild |
| Department: | Department of Chemistry |
| Organisation: | University of Tartu |
| E-Mail: | sul@chem.ut.ee |
| Comments: | I use it for visualizing output from g94 and gamess. And its z-matrix editor is useful tool for creating input files for them. |
| Computer System: | rs6000 with AIX 3.2.5 |
| Name: | Hamish H. Wynn |
| Department: | Oxford University |
| Organisation: | Inorganic Chemistry Laboratory |
| E-Mail: | hamish.wynn@icl.ox.ac.uk |
| Comments: | Isometric projections of MO's, mainly of Organometallic compounds |
| Computer System: | SG Indigo2 and Linux |
| Name: | Christian Boehme |
| Department: | FB Chemie |
| Organisation: | Philipps Universitdt Marburg |
| E-Mail: | boehmec@mailer.uni-marburg.de |
| Comments: | We are calculating transition metal complexes. Using our own code we calculate electron donationand backdonation and which orbitals contributeto them. We want to visualize these orbitals. |
| Computer System: | AIX (maybe LINUX) |
| Name: | Takatoshi Senju |
| Department: | Chemistry |
| Organisation: | The University of Tokyo |
| E-Mail: | senju@selen.c.u-tokyo.ac.jp |
| Comments: | To display electron density contour map. |
| Computer System: | Sun Sparcstation (SunOS4.1.3) |
| Name: | Andreas Eggenschwiler |
| Department: | Chemistry |
| Organisation: | Swiss Federal Institute (ETH) Zurich |
| E-Mail: | res@inorg.chem.ethz.ch |
| Comments: | Visualisation of reaction pathways of biologicallyrelevan molecules |
| Computer System: | Irix 5.3 |
| Name: | Dariusz C. Bienko |
| Department: | Institute of Inorganic Chemistry and Metallurgy of Rare Elements |
| Organisation: | Technical University of Wroclaw |
| E-Mail: | darek@ichn.ch.pwr.wroc.pl |
| Comments: | I am going to use Molden for visualization of gaussian frequencies |
| Computer System: | ibm sp2 |
| Name: | Prof. Kirk A. Peterson |
| Department: | Department of Chemistry |
| Organisation: | Washington State University |
| E-Mail: | ka_peterson@pnl.gov |
| Comments: | Primarily to visualize normal mode frequenciesoutput from Gaussian. Thanks! Works great. |
| Computer System: | RS/6000 3BT (AIX) |
| Name: | Zheng Shi |
| Department: | Simon Fraser University |
| Organisation: | Department of Chemistry |
| E-Mail: | zshi@sfu.ca |
| Comments: | Research |
| Computer System: | SGI |
| Name: | Anthony D. DeBellis |
| Department: | Research |
| Organisation: | Ciba Geigy Corp - Additives Division |
| E-Mail: | anthony.debellis@usar.mhs.ciba.com |
| Comments: | Visualization of Gamess output |
| Computer System: | RS/6K 37T |
| Name: | Harsono Simka |
| Department: | Chemical Engineering |
| Organisation: | MIT |
| E-Mail: | hsimka@mit.edu |
| Comments: | Checking Gaussian outputs and modes |
| Computer System: | AIX |
| Name: | Paul Lyne |
| Department: | Chemistry |
| Organisation: | Harvard University |
| E-Mail: | paul@tammy.harvard.edu |
| Comments: | |
| Computer System: | sgi, dec-alpha, hp |
| Name: | David E. Reichert |
| Department: | Radiological Science |
| Organisation: | Washington University School of Medicine |
| E-Mail: | david@scoobie.wustl.edu |
| Comments: | analyzing GAMESS output |
| Computer System: | Silicon Graphics Indigo2 |
| Name: | Filippo Bruge' |
| Department: | |
| Organisation: | CNR-IAIF |
| E-Mail: | fil@risc2.iaif.pa.cnr.it |
| Comments: | |
| Computer System: | IBM Risc 6000/520 , DEC 3000/400 |
| Name: | GONDET |
| Department: | USER SUPPORT |
| Organisation: | IDRIS/CNRS |
| E-Mail: | gondet@idris.fr, teuler@idris.fr |
| Comments: | to visualize G94 ouput, normal modes may be animation |
| Computer System: | RS6000 sure / SGI may be |
| Name: | Per Arvidsson |
| Department: | Dep. Organic Chemistry |
| Organisation: | Goteborg University |
| E-Mail: | arvid@oc.chalmers.se |
| Comments: | I will use it for visualization of G94 output. |
| Computer System: | SGI Indy |
| Name: | Working Group of Prof. Ernst Walter Knapp |
| Department: | Institut fuer Kristallographie |
| Organisation: | Freie Universitaet Berlin |
| E-Mail: | melchers@FU-Berlin.DE |
| Comments: | View Gaussian output, animate normal modes |
| Computer System: | irix5.3, irix6.1, linux 1.2.13 |
| Name: | Craig Wilson |
| Department: | Chemistry Department |
| Organisation: | University of Warwick |
| E-Mail: | C.Wilson@warwick.ac.uk |
| Comments: | For the vizualization of normal modes (and occasionally electron denisties) from the outputof GAUSSIAN 94 calculations on various species ofinterest in atmospheric chemistry |
| Computer System: | Silicon Graphics Elan IRIX 5.2 |
| Name: | Cezary Czaplewski |
| Department: | Faculty of Chemistry |
| Organisation: | University of Gdansk |
| E-Mail: | czarek@sun1.chem.univ.gda.pl |
| Comments: | academic research (non profit) |
| Computer System: | IMB RS/6000 42T |
| Name: | Marc Heinrich Prosenc |
| Department: | Fak. f. Chemie |
| Organisation: | Universitaet Konstanz |
| E-Mail: | Prosenc@dg5.chemie.uni-konstanz.de |
| Comments: | test- read gaussian output |
| Computer System: | IRIX/OSF1 ... |
| Name: | Takanori Kanazawa |
| Department: | International Research Laboratories |
| Organisation: | Ciba-Geigy Japan, Ltd |
| E-Mail: | takanori.kanazawa@jpta.mhs.ciba.com |
| Comments: | |
| Computer System: | SGI indigo2/R4400(175MHz) |
| Name: | Dr. Klaus Schoffel |
| Department: | Catalysis and Reactor Technology |
| Organisation: | Norsk Hydro |
| E-Mail: | Klaus.Schoffel@hre.hydro.com |
| Comments: | Visualization of GAMESS-UK output |
| Computer System: | SGI R8000 |
| Name: | Dr. Guillermo A. Suner |
| Department: | Departament de Quimica |
| Organisation: | Universitat de les Illes Balears |
| E-Mail: | guillem@gauss.uib.es |
| Comments: | Intended for electronic density of organometallics |
| Computer System: | DEC Alpha 3000/700 |
| Name: | Arlen Viste |
| Department: | Department of Chemistry |
| Organisation: | Augustana College |
| E-Mail: | viste@inst.augie.edu |
| Comments: | I am just getting started, but hope to use itto visualize Gaussian 94 output, as wellas structures (e.g. PDB files). |
| Computer System: | IBM RS/6000, X windows |
| Name: | Joshua Wang |
| Department: | Physics Department |
| Organisation: | City College of New York |
| E-Mail: | jhwang@scisun.sci.ccny.cuny.edu |
| Comments: | Visualize the normal modes from Gaussianoutput files. |
| Computer System: | SGI |
| Name: | Dr. SECCHI MICHELE |
| Department: | ORGANIC CHEMISTRY |
| Organisation: | UNIVERSITY OF FLORENCE |
| E-Mail: | guest@chimorg.unifi.it |
| Comments: | Good interface for read the output files of GAMESS-US |
| Computer System: | IBM RS/6000 AIX 3.2.5 |
| Name: | V. Mohan |
| Department: | Medicinal Chemistry |
| Organisation: | ISIS Pharmaceuticals |
| E-Mail: | vmohan@isisph.com |
| Comments: | Normal mode animation of Gaussian output files |
| Computer System: | SGI Crimson |
| Name: | meng, baoqi |
| Department: | chem eng |
| Organisation: | ucsb, california |
| E-Mail: | meng@squid.ucsb.edu |
| Comments: | i am doing some calculations using ab inito md code.i want to use this program to view the vibrational mode from the eigen vector i got by diagonalize the hessian matrix. i don;t know whether your program can do this. if not, would you please point me to some other program that can do this. thanks. |
| Computer System: | |
| Name: | Juanjo Lozano |
| Department: | Medical Informatics |
| Organisation: | IMIM-UAB |
| E-Mail: | jlozano@apolo.imim.es |
| Comments: | representation of MEP |
| Computer System: | sgi and linux |
| Name: | Ms. Alicia Martinez |
| Department: | Chemistry |
| Organisation: | CESCA |
| E-Mail: | amartinez@cesca.es |
| Comments: | We lacked a GOOD visualization tool for MOPAC. |
| Computer System: | SGI Indy |
| Name: | Michael R. Zachariah |
| Department: | Reacting Flows Group |
| Organisation: | NIST |
| E-Mail: | mrz@tiber.nist.gov |
| Comments: | |
| Computer System: | SGI |
| Name: | Dr. Ulrich Schmitt |
| Department: | Lab. Phys. Chemistry |
| Organisation: | ETH Zurich |
| E-Mail: | schmitt@ir.phys.chem.ethz.ch |
| Comments: | |
| Computer System: | DEC Alpha AXP/OpenVMS |
| Name: | Dr. Johannes Grotendorst |
| Department: | Central Institute for Applied Mathematics (ZAM) |
| Organisation: | Research Center Juelich |
| E-Mail: | j.grotendorst@kfa-juelich.de |
| Comments: | Graphical front end for GAMESS-US, Gaussian andMopac. |
| Computer System: | IBM 42T with AIX 4.1.2 |
| Name: | Perry Keller |
| Department: | Self |
| Organisation: | Self |
| E-Mail: | perry@col.hp.com |
| Comments: | I am exploring chemistry for my own personallearning and am looking for software to helppredict reactions and visualize molecules. |
| Computer System: | HP-UX 9.03 S700 |
| Name: | Robert Wilbrandt |
| Department: | Environmental Science and Technology |
| Organisation: | Risoe National Laboratory |
| E-Mail: | wilbrandt@risoe.dk |
| Comments: | Visualization of Gaussian output, editing Gaussian input for G94.Structures and vibrational spectra of short-livedchemical intermediates. |
| Computer System: | SGI Indigo2 IRIX 5.2 |
| Name: | Kent Milfeld |
| Department: | Chemistry Department |
| Organisation: | University of Texas |
| E-Mail: | milfeld@hpcf.cc.utexas.edu |
| Comments: | Computation Chemistry Class |
| Computer System: | Sun |
| Name: | Jochen Heyd |
| Department: | Chemistry |
| Organisation: | University of Zürich |
| E-Mail: | jheyd@oci.unizh.ch |
| Comments: | Viewing structures and vibrations from G94 and Gamess-US runs |
| Computer System: | Linux and Irix |
| Name: | Jyh-Shyong Ho |
| Department: | Research and Service Division, Chemistry group |
| Organisation: | National Center for High-Performance Computing |
| E-Mail: | c00jsh00@nchc.gov.tw |
| Comments: | visualization of quantum chemistry computation results |
| Computer System: | SGI PowerChallenge |
| Name: | Jee Hwan Jang |
| Department: | Molecular Modeling |
| Organisation: | Kumho Chemical Laboratory |
| E-Mail: | jang@camd1.kkpcr.re.kr |
| Comments: | For processing of Gaussian output on my research. |
| Computer System: | SGI Power Indigo 2 ( R8000 ) |
| Name: | Nick Nystrom |
| Department: | |
| Organisation: | Pittsburgh Supercomputing Center |
| E-Mail: | nystrom@psc.edu |
| Comments: | Visualization for research as well as demo preparation |
| Computer System: | UNICOS, IRIX, AXP, Ultrix |
| Name: | Ruben Santamaria |
| Department: | Fisica Teorica |
| Organisation: | Instituto de Fisica, UNAM |
| E-Mail: | rso@ifunam.ifisicacu.unam.mx |
| Comments: | I'd like to use Molden mainly for visualizationand straightforward analysis of results |
| Computer System: | Dec-Alpha/OSF1 |
| Name: | Jesus Ugalde |
| Department: | Polimeroen Zientzia Teknologia |
| Organisation: | Euskal Herriko Univertsitatea |
| E-Mail: | popugurj@sq.ehu.es |
| Comments: | We do quantum calculations and we are planing to use it to visualize the orbitals, we just have installed it and we find great, congratulations!Dankjewel |
| Computer System: | AIX IBM |
| Name: | Jose Luis Andres |
| Department: | Institute of Computational Chemistry, Dept. Chem. |
| Organisation: | University of Girona |
| E-Mail: | jluis@stark.udg.es |
| Comments: | To plot electron densities and to see vibrational frequencies form either gaussian94 or gamess |
| Computer System: | silicon graphics indy |
| Name: | Bernd Wiedel |
| Department: | Friedrich Schiller Universitaet Jena |
| Organisation: | Institut fuer Organische Chemie |
| E-Mail: | wiedel@al.bundy.uni-jena.de |
| Comments: | G92/G94 and Mopac93 |
| Computer System: | HP735/125 & SGI Indy |
| Name: | Kalju Kahn |
| Department: | Biochemistry |
| Organisation: | University of Missouri-Columbia |
| E-Mail: | kahn@prancer.biochem.missouri.edu |
| Comments: | Visualize molecular properties calculated with Gaussian or Mopac. Maybe vibrations |
| Computer System: | SGI IRIS Indigo, IRIX 5.2 |
| Name: | Ewa Broclawik |
| Department: | Institute of Catalysis |
| Organisation: | Polish Academy of Sciences |
| E-Mail: | broclawi@trurl.ch.uj.edu.pl |
| Comments: | Theoretical modeling of catalytic centers and catalytic processes:display and elaboration of quantum chemical calculations for clustermodels of catalytic centers and reaction pathways. |
| Computer System: | SGI Indigo 2 |
| Name: | Tsu-chien Weng |
| Department: | Department of Chemistry |
| Organisation: | National Taiwan University |
| E-Mail: | david@helium.ch.ntu.edu.tw |
| Comments: | visualize the vibration of normal mode |
| Computer System: | DEC Alpha 3000/700 |
| Name: | STEVEN CREVE |
| Department: | Chemistry / Lab. for Quantumchemistry |
| Organisation: | KULeuven |
| E-Mail: | steven.creve@chem.kuleuven.ac.be |
| Comments: | I mainly use it for analysing Gaussian outputs (vibrations, structures and orbitals). |
| Computer System: | IBM RS/6000 |
| Name: | Markus Oppel |
| Department: | Institute for Theoretical Chemistry |
| Organisation: | FU Berlin |
| E-Mail: | oppel@chemie.fu-berlin.de |
| Comments: | Viewing electron-density from ab-initio calculations |
| Computer System: | Irix5.3 |
| Name: | Sang Joo, Lee |
| Department: | Chemistry |
| Organisation: | POSTECH, Korea |
| E-Mail: | lsj@iris.postech.ac.kr |
| Comments: | actually downloading molden now :(Thank you |
| Computer System: | UNIX(AIX,IRIX,HP-UX,OSF1,SunOS,Linux,..), PC, MAC |
| Name: | Kallies, Bernd |
| Department: | Institut fuer Physikalische und Theoretische Chemie |
| Organisation: | Universitaet Potsdam |
| E-Mail: | kallies@serv.chem.uni-potsdam.de |
| Comments: | |
| Computer System: | AIX, IRIX |
| Name: | Jochen Kuepper |
| Department: | Institut fuer Physikalische Chemie I |
| Organisation: | Heinrich-Heine-Universitaet |
| E-Mail: | jochen@uni-duesseldorf.de |
| Comments: | Viewing vibrations and orbitals of Gamesscalculations of organic molecules (actual indolekind of thing). |
| Computer System: | Linux |
| Name: | huesser peter |
| Department: | physics |
| Organisation: | university |
| E-Mail: | huesser@spinsun1.physik.unizh.ch |
| Comments: | data visualisation of gaussian output. |
| Computer System: | aix 3.2.5 |
| Name: | Janusz Mrozek |
| Department: | Dept. of Theoretical Chemistry |
| Organisation: | Faculty of chemistry, Jagiellonian University |
| E-Mail: | mrozek@cerebron.ch.uj.edu.pl |
| Comments: | ANalysis of results from GAMESS and MOPAC runs |
| Computer System: | DEC Alpha DEC Unix 3.2c |
| Name: | Witko Malgorzata |
| Department: | Institute of Catalysis |
| Organisation: | Polish Academy of Sciences |
| E-Mail: | witko@trurl.ch.uj.edu.pl |
| Comments: | studies on catalytic reaction on transition metal oxides and metal surfaces |
| Computer System: | RISC 6000: IBM3BT, IBM250, IBM25T |
| Name: | Robert E. Connors |
| Department: | Chemistry and Biochemistry |
| Organisation: | Worcester Polytechnic Institute |
| E-Mail: | rconnors@wpi.edu |
| Comments: | View electron density etc.from G92 and MOPAC output. |
| Computer System: | DEC-alpha |
| Name: | Laszlo Nyulaszi |
| Department: | Inorganic Chemistry |
| Organisation: | Technical University of Budapest |
| E-Mail: | nyulaszi@ch.bme.hu |
| Comments: | plotting molecular orbitals and geometry from Gaussian 94 |
| Computer System: | irix 5.3 |
| Name: | Corr Reinhard Dr. |
| Department: | |
| Organisation: | RHRK (Regionales Hochschulrechenzentrum) |
| E-Mail: | corr@rhrk.uni-kl.de |
| Comments: | Building Z-matrix and visualization ofGaussian input and output.As I'm not the end user, I'm working inthe computer center and the end users areworking in the chemical institutes,they may use it for more than they told me. |
| Computer System: | Silicon Graphic |
| Name: | J.V. Ortiz |
| Department: | Chemistry Department |
| Organisation: | University of New Mexico |
| E-Mail: | ortiz@nestor.unm.edu |
| Comments: | MO and density plots, structure and normal moderepresentations |
| Computer System: | ibm rs6000/350 |
| Name: | Rolf Trinoga |
| Department: | |
| Organisation: | Max-Planck-Institut fuer Strahlenchemie |
| E-Mail: | trinoga@mpi-muelheim.mpg.de |
| Comments: | |
| Computer System: | Digital Alpha |
| Name: | David Feller |
| Department: | |
| Organisation: | Pacific Northwest National Laboratory |
| E-Mail: | d3e102@ames.pnl.gov |
| Comments: | |
| Computer System: | SGI and IBM |
| Name: | Daniel E. Rodrigues |
| Department: | Dpt. of Physics |
| Organisation: | Fac. de Bioquimica y Cs. Biologicas, Univ. Nacional del Litoral |
| E-Mail: | danielr@fbcb.unl.edu.ar |
| Comments: | To visualize results of electronic structure calculation of molecules of biological interest (model systems) or clusters of inorganic surfaces. |
| Computer System: | PC Pentium + Linux (Slackware 3.0, kernel 1.3.53) |
| Name: | Paulo Sergio Pinto |
| Department: | Math |
| Organisation: | PNNL |
| E-Mail: | psp_paulo@pnl.gov |
| Comments: | I am studing new solutions that can help me to visualize molecules inside the WEB. |
| Computer System: | Indigo |
| Name: | Lohrenz |
| Department: | Organisch-Chemisches Institut |
| Organisation: | Universitaet Zuerich |
| E-Mail: | lohrenz@oci.unizh.ch |
| Comments: | I will try to built an interface for ADF |
| Computer System: | AIX, IRIX |
| Name: | Dietrich Bartel |
| Department: | Zentralinstitut fuer Angewandte Mathematik - ZAM |
| Organisation: | Forschungszentrum Juelich GmbH |
| E-Mail: | d.bartel@kfa-juelich.de |
| Comments: | I'm downloading your software for use by our scientists. Dr. Grotendorst has told me that he has spoken with you and we have your agreement. |
| Computer System: | |
| Name: | Marcie Olander |
| Department: | Information Technologies |
| Organisation: | Battelle |
| E-Mail: | m_olander@pnl.gov |
| Comments: | I'm installing Molden for chemists who claimMolden has some better features than XMol. Ifyou want specifics, send me email and I'll querythe chemists.Battelle is a non-profit organization registeredin Ohio. |
| Computer System: | IRIX and Solaris |
| Name: | Pierre Mothe´Esteves |
| Department: | Organic Chemistry |
| Organisation: | Universidade Federal do Rio de Janeiro |
| E-Mail: | pierre@chopin.iq.ufrj.br |
| Comments: | I use molden for my routine work using GAMESS inresearch on heterogeneous catalysis. |
| Computer System: | SGI |
| Name: | Adam Liwo |
| Department: | Chemistry |
| Organisation: | Cornell University |
| E-Mail: | adam@scheraga1.chem.cornell.edu |
| Comments: | Research on peptide-water potential. |
| Computer System: | SGI (INDY) |
| Name: | Rob Jenkins |
| Department: | Chemistry |
| Organisation: | Australian Defence Force Academy |
| E-Mail: | jenr95@octarine.cc.adfa.oz.au |
| Comments: | Visualisation of Molecular orbitals of small inorganic complexes |
| Computer System: | AIX RS/6000 |
| Name: | Josep Maria Oliva |
| Department: | Theoretical Chemistry |
| Organisation: | University of Bristol |
| E-Mail: | J.M.Oliva@bris.ac.uk |
| Comments: | For Plotting Spin-Coupled orbitals (*), usinga modified output file from GAMESS-UK, asone of the input files in MOLDEN.(*) See for instance : JPC (1992), 96,7943 JACS (1994),116,2075 |
| Computer System: | IBM RISC/6000 / IBM PowerPC |
| Name: | POUPLANA RAMON |
| Department: | FARMACIA |
| Organisation: | UNIVERSITY OF BARCELONA |
| E-Mail: | ramon@iris.far.ub.es |
| Comments: | MEPs representation |
| Computer System: | Silicon |
| Name: | Mihir Sejpal |
| Department: | Physics and Astronomy |
| Organisation: | University of Pennsylvania |
| E-Mail: | mihir@sgimess.physics.upenn.edu |
| Comments: | To view orbitals |
| Computer System: | sgi |
| Name: | Vidar R. Jensen |
| Department: | Department of Chemistry |
| Organisation: | University of Bergen |
| E-Mail: | Vidar.Jensen@kj.uib.no |
| Comments: | Visual inspection of results calculated using the Gaussian and GAMESS-US set of programs. I mostly work with organometallic systems and/or catalysis. |
| Computer System: | AIX 4.1.2 |
| Name: | Tsan Lay |
| Department: | Department of Chemistry |
| Organisation: | New Jersey Institute of Technology |
| E-Mail: | lay@tesla.njit.edu |
| Comments: | Visulize mloecular structure and orbitals form ab inito calculations. |
| Computer System: | DEC Alphastation (OSF UNIX) |
| Name: | Baudilio TEJERINA |
| Department: | Quimica Fisica y Analitica |
| Organisation: | Universidad de Oviedo |
| E-Mail: | bta@sauron.quimica.uniovi.es |
| Comments: | Together with GAMESS(US), implementing some of its outputs graphically. |
| Computer System: | DECAlpha(OpenVMS) |
| Name: | KONAMI, Hideo |
| Department: | Institute for Chemical Reaction Science |
| Organisation: | Tohoku University |
| E-Mail: | konami@brdsun.icrs.tohoku.ac.jp |
| Comments: | Drawing MOs from outputs of Gaussian94 into postscript files. |
| Computer System: | SunSparc10 |
| Name: | Dr Douglas Philp |
| Department: | School of Chemistry |
| Organisation: | University of Birmingham |
| E-Mail: | d.philp@birmingham.ac.uk |
| Comments: | |
| Computer System: | Silicon Graphics IRIX 5.3/6.1 |
| Name: | Charles Sites |
| Department: | Electrical Engineering |
| Organisation: | University of Louisville |
| E-Mail: | syschuck@cairo.spd.louisville.edu |
| Comments: | We are using Molden as an Educational aid for undergraduate studies. Additionally as a viewer of GAMESS-US output. |
| Computer System: | IRIX 5.3/6.1 Linux 1.3.3 |
| Name: | Yves DORY |
| Department: | Chemistry |
| Organisation: | University |
| E-Mail: | ydory@aix1.si.usherb.ca |
| Comments: | I use it to visualize GAMESS outputs.It would be very handy to have stereo displays (relaxed).This gives very attractive pictures and I intend to use them in publications. |
| Computer System: | RISC and SP2 |
| Name: | Manuel Alcami |
| Department: | Chemistry |
| Organisation: | Universidad Autonoma de Madrid |
| E-Mail: | alcami@idefix.qui.uam.es |
| Comments: | Visualisation of Gaussian and Gamess outputs Maybe if a future for teaching puposes |
| Computer System: | IBM-RISK 6000 |
| Name: | Darren Chapman |
| Department: | Department of Chemistry |
| Organisation: | University of York |
| E-Mail: | chapman@rydberg.york.ac.uk |
| Comments: | I use molden for displaying the results ofgeometry optimisations. |
| Computer System: | IRIX 6.1 |
| Name: | Hisao ISHII |
| Department: | Department of Chemistry, Faculty of Science |
| Organisation: | Nagoya University |
| E-Mail: | ishii@chem1.chem.nagoya-u.ac.jp |
| Comments: | I am studying the electronic structure of functional organic material by phoroelectron spectroscopy.I use MOLDEN in order to visually analyze the output file of US-GAMESS. |
| Computer System: | DEC AXP OSF/1 |
| Name: | Dr. Andrew Rohl |
| Department: | School of Applied Chemistry |
| Organisation: | Curtin University of Technology |
| E-Mail: | andrew@power.curtin.edu.au |
| Comments: | Looking at GAMESS calcs |
| Computer System: | SGI |
| Name: | Marek Sierka |
| Department: | Quantum Chemistry Group at the Humboldt Univ. |
| Organisation: | Max-Planck Society |
| E-Mail: | mas@qc.ag-berlin.mpg.de |
| Comments: | Visualization of data from Gaussian94, GAMESS-US. |
| Computer System: | IBM, SGI |
| Name: | Daniel T. Chang |
| Department: | Chemistry and Biochemistry |
| Organisation: | Texas Tech University |
| E-Mail: | chang@aladdin.chem.ttu.edu |
| Comments: | Visualization of electronic structure calculations -MO's, densities, etc. (research) |
| Computer System: | OSF/1 (digital UNIX) |
| Name: | Dr Roy L Johnston |
| Department: | School of Chemistry |
| Organisation: | University of Birmingham |
| E-Mail: | r.l.johnston.che@bham.ac.uk |
| Comments: | Plotting orbitals and electron densities for small molecules and clusters |
| Computer System: | SGI Indy R4400 |
| Name: | Heather Gordon |
| Department: | Department of Chemistry |
| Organisation: | Queen's University |
| E-Mail: | gordonh@chem.queensu.ca |
| Comments: | viewing gaussian output |
| Computer System: | IBM RS6000/550 |
| Name: | Joong-Youn Shim |
| Department: | Toxicology |
| Organisation: | US-EPA/UNC |
| E-Mail: | shim@anion.herl.epa.gov |
| Comments: | Reaction Path, normal mode analysis |
| Computer System: | UNIX |
| Name: | Antulio Tarazona |
| Department: | Institute of Applied Physical Chemitry |
| Organisation: | Research Centre Juelich |
| E-Mail: | a.tarazona@kfa-juelich.de |
| Comments: | Graphical Presentation of Gaussian results for my dissertation |
| Computer System: | Linux |
| Name: | Shabalin Kostya |
| Department: | Molecular Biophysics |
| Organisation: | Petersburg Nuclear Physics Institute |
| E-Mail: | kostya@omrb.pnpi.ru |
| Comments: | Use as a driver for GAMESS |
| Computer System: | Linux on PC |
| Name: | Junji TAKAHASHI |
| Department: | Applied Chemistry |
| Organisation: | |
| E-Mail: | junji@qcl.t.u-tokyo.ac.jp |
| Comments: | I would like to display orbitals of fullerenes stereoscopically. |
| Computer System: | IBM RS/6000 |
| Name: | Frank Neese |
| Department: | Biology |
| Organisation: | University of Konstanz |
| E-Mail: | Frank.Neese@uni-konstanz.de |
| Comments: | I would like to visualize the results of semiempirical calculations using a locally developed program |
| Computer System: | sgi indigo 2 |
| Name: | Kálmán J. Szabó |
| Department: | Organic Chemistry |
| Organisation: | Uppsala University |
| E-Mail: | Kalman.Szabo@kemi.uu.se |
| Comments: | Visualisation of computational results (MO, MEP, normal modes)obtained by Gaussian program packeges. |
| Computer System: | Sun OS4 |
| Name: | Ramon M. Sosa |
| Department: | Quantum Theory of Molecules (Dep. of Physics) |
| Organisation: | Faculty of Engineering |
| E-Mail: | rsosa@fing.edu.uy |
| Comments: | I would like to do a graphical treatment for theresults I get from Gaussian 94, ADF 201 and Gamess programs. |
| Computer System: | several |
| Name: | Katsumi BABA |
| Department: | Org.Chem. Inst. (Research Group: Prof. P. Hofmann |
| Organisation: | Univ.-Heidelberg |
| E-Mail: | baba@phindigo.oci.uni-heidelberg.de |
| Comments: | Research (Electronic property of inorganic cyclic compound)- visualization of MOPAC(6.0/93)-output |
| Computer System: | SGI Indigo XS24 / IRIX5.2 |
| Name: | Piotr Demjanov |
| Department: | Chemistry Department |
| Organisation: | Moscow State University |
| E-Mail: | pdem@organic.chem.msu.su |
| Comments: | This program need to us for visualization of molecular andelectonic structure from output the ab initio packages GAMESS. |
| Computer System: | DOS, Windows95 |
| Name: | Peter Burger |
| Department: | Inorganic Chemistry |
| Organisation: | University of Zuerich |
| E-Mail: | chburger@aci.unizh.ch |
| Comments: | MO-visualization |
| Computer System: | dec-axp, linux, rs6000 |
| Name: | J. R. Goetz |
| Department: | N/A |
| Organisation: | N/A |
| E-Mail: | jrgoetz@ccnet.com |
| Comments: | |
| Computer System: | |
| Name: | Ivan Rossi |
| Department: | Chemistry "G. Ciamician" |
| Organisation: | University of Bologna |
| E-Mail: | ivan@gandalf.ciam.unibo.it |
| Comments: | Visualization of Gaussian and GAMESS outputs |
| Computer System: | IBM RS/6000 580F running AIX 3.2.5 |
| Name: | Wang Chunru |
| Department: | Chemistry |
| Organisation: | The University of Hong Kong |
| E-Mail: | crwang@hkucc.hku.hk |
| Comments: | For plot the molecular orbitals after the calculationsof GAMESS-US. The MOLDEN is a very good softwares, thankyou for your writing this program. |
| Computer System: | ibm rs/6000 |
| Name: | Emilio Orgaz |
| Department: | Chemistry Department |
| Organisation: | Univesrity of Paris-Sud |
| E-Mail: | eob@mg.isma.u-osud.fr |
| Comments: | i downloaded molden to evaluate.I'm plannig to use it with gamess for teaching anda part of my research (theoretical solid st. chem.) |
| Computer System: | RS600-390 |
| Name: | Gabriel Birrane |
| Department: | Chemistry |
| Organisation: | University College Galway |
| E-Mail: | gabriel.birrane@ucg.ie |
| Comments: | |
| Computer System: | SGI IRIX 5.3 |
| Name: | Peter Koenig |
| Department: | Dept. of Chemistry |
| Organisation: | Univ. of Mainz |
| E-Mail: | pkoenig@mail.uni-mainz.de |
| Comments: | To get a more powerful and comfortable way to see what happens in themolecuels I calculated. Our working group is orientated in the area ofhomog. polymerisation catalysts. |
| Computer System: | *ix : AXP, SGI, RS6K |
| Name: | Michael P. Sigalas |
| Department: | School of Chemistry |
| Organisation: | Aristotle University of Thessaloniki |
| E-Mail: | sigalas@olymp.ccf.auth.gr |
| Comments: | Study of the results from ab initio calculationson transition metal and organometallic speciesusing Gaussian and Gamess packages |
| Computer System: | Unix (HP-UX) |
| Name: | Augusto Cesar de Camargo Neto |
| Department: | LIEC - Departament of Chemistry |
| Organisation: | Federal University of Sao Carlos |
| E-Mail: | accn@sysnetway.com.br |
| Comments: | I use Molden to see Mopac & Gaussian output of IRC, Geometry Optimization ...I work with solid state chemistry and catalysis heterogenous. |
| Computer System: | SGI, AIX, LINUX. |
| Name: | MOULABBI |
| Department: | Université des Sciences de Nice |
| Organisation: | LAB.BIOPHYSIQUE |
| E-Mail: | MOULABBI@unice.fr |
| Comments: | MEP-HUMO-LUMO for Hyaluronan (GlcA-GlcNAc) |
| Computer System: | |
| Name: | Marek Skowronek |
| Department: | Institut of Medical Biochemistry |
| Organisation: | Jagiellonian University |
| E-Mail: | mbskowro@kinga.cyf-kr.edu.pl |
| Comments: | Visualisation of Gaussian data like electrostatic potential, density etc. |
| Computer System: | |
| Name: | Kyung Seok Oh |
| Department: | Chemistry |
| Organisation: | Pohang University of Science and Technology |
| E-Mail: | ohks@chem.postech.ac.kr |
| Comments: | I'm major in theoretical and computational chemistry, and use g94, g92, games, and mopac program for calculation.So I need the view and analysis program for output file. Thankx. |
| Computer System: | SGI,IRIX 5.3 and 6.1 |
| Name: | Mamoru Endo |
| Department: | Metallury |
| Organisation: | Tohoku Univ. |
| E-Mail: | endo@material.tohoku.ac.jp |
| Comments: | Display MO of salts. |
| Computer System: | SunOS4.1.3 |
| Name: | Claus Denk |
| Department: | Fisica Atomica, Molecular y Nuclear |
| Organisation: | Universidad de Sevilla |
| E-Mail: | denk@obelix.cica.es |
| Comments: | Hopefully I find in Molden a tool to diplayresults obtained by GAMESS. |
| Computer System: | Linux |
| Name: | Heiko Jacobsen |
| Department: | Anorganisch Chemisches Institut |
| Organisation: | Universitaet Zuerich |
| E-Mail: | jacobsen@aci.unizh.ch |
| Comments: | |
| Computer System: | dec alpha |
| Name: | Raja Amruthavalli |
| Department: | Physics and Physical Oceanography |
| Organisation: | Memorial University of Newfoundland |
| E-Mail: | raja@smaug.physics.mun.ca |
| Comments: | To display the molecular orbitals and densitygenerated from Gaussian. |
| Computer System: | SGI |
| Name: | Michael Shephard |
| Department: | School of Chemistry |
| Organisation: | University of New South Wales |
| E-Mail: | M.Shephard@unsw.edu.au |
| Comments: | Examining the shapes of MOs calculated by Gaussianand in producing high quality hard-copy contourplots of the orbitals |
| Computer System: | SGI Irix |
| Name: | Lizhi Ouyang |
| Department: | Physics |
| Organisation: | University of Missouri-Kansas City |
| E-Mail: | louyang@cctr.umkc.edu |
| Comments: | Visualize our massive electronic structure calculation data |
| Computer System: | Linux |
| Name: | Shin-ichiro SATO |
| Department: | School of Materials Science |
| Organisation: | Japan Advanced Institute of Science and Technology |
| E-Mail: | s-sato@jaist.ac.jp |
| Comments: | To display molecular orbital contour |
| Computer System: | Sun |
| Name: | Steve Wilkens |
| Department: | NMRFAM |
| Organisation: | University of Wisconsin |
| E-Mail: | wilks@nmrfam.wisc.edu |
| Comments: | i use molden for preparing Gaussian94 input files andviewing G94 output. i'm very pleased to have found moldensince there doesn't seem to be many packages out toassist in viewing ab initio results. thanks. |
| Computer System: | RS/6000 |
| Name: | Carlos Manuel Estevez-Valcarcel |
| Department: | Chemistry and Biochemistry |
| Organisation: | University of Delaware |
| E-Mail: | carlos@udel.edu |
| Comments: | Analysis of G94 and GAMESS US outputs (MOs Forces Frequencies IRC etc) |
| Computer System: | IBM RS6000 |
| Name: | Paul Koegerler |
| Department: | AC I / Fak. Chemie |
| Organisation: | University of Bielefeld. |
| E-Mail: | paul@chela.chemie.uni-bielefeld.de |
| Comments: | Visualization of GAMESS results |
| Computer System: | SGI indigo |
| Name: | R.L. Birke |
| Department: | Chemistry |
| Organisation: | City College of CUNY |
| E-Mail: | birke@scisun.sci.ccny.cuny.edu |
| Comments: | Molden is an essential tool for analyzing Gaussianoptimized structure and vibrational spectra for moleculesbond to metal clusters. |
| Computer System: | UNIX on DEC Alpha and SGI, macX |
| Name: | vanita sharma |
| Department: | chemistry |
| Organisation: | hunter college |
| E-Mail: | venus@aol.com. |
| Comments: | chemistry research |
| Computer System: | |
| Name: | Dietmar Kaiser |
| Department: | Institute of Organic Chemistry, AK Prof. Jung |
| Organisation: | University of Tuebingen |
| E-Mail: | dietmar.kaiser@uni-tuebingen.de |
| Comments: | Visualization of Gaussian Output |
| Computer System: | Irix 5.3 |
| Name: | Dr. Christine Rudolph |
| Department: | Molecular Modelling |
| Organisation: | Cyanamid Research |
| E-Mail: | rudolphc@sbh.cyanamid.com |
| Comments: | Visualisation of GAMESS output |
| Computer System: | SGI/LINUX |
| Name: | Paul van Hooft |
| Department: | Pharmazeutische Chemie |
| Organisation: | Universitaet Duesseldorf |
| E-Mail: | hooft@pharm.uni-duesseldorf.de |
| Comments: | I would like to visualise Connolly surfaces |
| Computer System: | Indy |
| Name: | Massimo Fontanelli |
| Department: | Chemistry |
| Organisation: | University of Florence |
| E-Mail: | maxi@chim1.unifi.it |
| Comments: | Wish I use molden for display results of my ab-initio computational environment, in particulargamess-usa and g94 programs. In future, I whishtry to add a new input feature for ADF program.Compliments for your program, it's really niceand well written...Massimo Fontanellimaxi@chim1.unifi.it |
| Computer System: | AIX 4.11 ---- DEC UNIX |
| Name: | Adrian Stevens |
| Department: | Centre for Molecular Design |
| Organisation: | University of Portsmouth |
| E-Mail: | Stevensa@chem.port.ac.uk |
| Comments: | The intention is to see if the software can assist in the early stages of the development of a 3-DQSAR tool which uses normal coordinate modes ofvibration as the basis for a molecular descriptor. |
| Computer System: | Silicon Graphics R3000 Irix 5.3 |
| Name: | dr. Damir Kovacek |
| Department: | Chemistry Departmet, Quantum Chemistry Group |
| Organisation: | Rudjer Boskovic Institute |
| E-Mail: | dkovacek@spider.irb.hr |
| Comments: | We are using Molden for viewing Gaussian andMOPAC outputs. |
| Computer System: | Linux and HP-UX |
| Name: | David A. Pensak |
| Department: | Central Research and Development |
| Organisation: | E. I. DuPont de Nemours, Inc. |
| E-Mail: | pensak@dupont.com |
| Comments: | I'm not sure where I will use it yet. I have just heaheard about and want to take a look at it. |
| Computer System: | RS6000 |
| Name: | Friedrich Streffer |
| Department: | Iwan-N-Stranski Institut |
| Organisation: | TU-Berlin |
| E-Mail: | frist@lehr.chem.tu-berlin.de |
| Comments: | displaying data of Gamess and Gaussian, structural chemistry |
| Computer System: | linux |
| Name: | SANJA SEKUSAK |
| Department: | PHYSICAL CHEMISTRY DEPARTMENT |
| Organisation: | RUDER BOSKOVIC INSTITUTE |
| E-Mail: | sanja@indigo.irb.hr |
| Comments: | analyzing changes of molecular density in thecourse of chemical reactions... |
| Computer System: | SGI IRIS INDIGO R4000 |
| Name: | Wei Ti Lee |
| Department: | Chemical Engineering |
| Organisation: | University of Illinois, Urbana-Champaign |
| E-Mail: | wt_lee@uhv.scs.uiuc.edu |
| Comments: | Displaying GAUSSIAN92 output, possibly G94 too. |
| Computer System: | IBM RS/6000 |
| Name: | Sergio Emanuel Galembeck |
| Department: | Departamento de Quimica - FFCLRP |
| Organisation: | Universidade de Sao Paulo |
| E-Mail: | segalemb@spider.usp.br |
| Comments: | I plan to use molden to help me in the study of molecular electronic structure of organic and inorganic compounds. |
| Computer System: | IBM RS6000 mod. 540H and SGI Indy WebForce |
| Name: | Andreas Parusel |
| Department: | Theoretical Chemistry and Radiationchemistry |
| Organisation: | University of Vienna |
| E-Mail: | andreas@majestix.msp.univie.ac.at |
| Comments: | orbital analysis and SCF convergence in GAUSSIAN94 calculations on excited states of organic donor-acceptor compounds |
| Computer System: | SGI indigo2 |
| Name: | Tom Fenn |
| Department: | Department of Chemistry |
| Organisation: | Iowa State University |
| E-Mail: | tfenn@iastate.edu |
| Comments: | Viewing results of GAMESS/US calculations |
| Computer System: | DecStation/5000 and OS/2 on 486/66 |
| Name: | C.M.Windsor (Dr. A. Whiting) |
| Department: | Chemistry (Organic Synthesis and Theoretical Modelling) |
| Organisation: | University of Manchester Institute of Science and Technology |
| E-Mail: | mbdtscw@afs.mcc.ac.uk |
| Comments: | Visualisation of HOMO/LUMO orbitals, Gaussian optimisation pathsand generation of new gaussian input files |
| Computer System: | SG indigo 2 IRIX 5.2 |
| Name: | Federica Freyria Fava |
| Department: | Chimica IFM |
| Organisation: | Universita` di Torino |
| E-Mail: | federica@ch.unito.it |
| Comments: | Visualization of molecules and crystal unit cells. |
| Computer System: | |
| Name: | E. Tajkhorshid |
| Department: | Molecular Biophysics (0810) |
| Organisation: | German Cancer Research Center |
| E-Mail: | E.Tajkhorshid@DKFZ-Heidelberg.DE |
| Comments: | Analysing Gaussian and Mopac calculation |
| Computer System: | Silicon Graphics |
| Name: | Arbeitsgruppe Theoretische Chemie |
| Department: | Fakultaet fuer Chemie, Theoretische Chemie |
| Organisation: | Universitaet Bielefeld |
| E-Mail: | ralf@tc1.chemie.uni-bielefeld.de |
| Comments: | Visualization of results of Gaussian94 and GAMESScalculations.See: http://www.uni-bielefeld.de/chemie/tc/tcengl.html |
| Computer System: | HP 735 |
| Name: | Professor William P. Dailey |
| Department: | Department of Chemistry |
| Organisation: | University of Pennsylvania |
| E-Mail: | dailey@a.chem.upenn.edu |
| Comments: | I'm just starting to use it as a visualization tool.I have used GaussianXX and GAMESS for many years |
| Computer System: | R4000 SGI VGX |
| Name: | Tone kokalj |
| Department: | Dept. for Physical Chem. |
| Organisation: | Jozef Stefan Institute, Ljubljana, Slovenia |
| E-Mail: | Tone.Kokalj@ijs.si |
| Comments: | I use Molden for displaying MOs, electron density,etc...It's good !!! |
| Computer System: | HP-UX |
| Name: | Dr. Romano T. Kroemer |
| Department: | Physical & Theoretical Chemistry Laboratory |
| Organisation: | University of Oxford |
| E-Mail: | romano@bellatrix.pcl.ox.ac.uk |
| Comments: | Viewing Gaussian94 outputs |
| Computer System: | Unix |
| Name: | Laszlo Fabian |
| Department: | X-ray Diffraction |
| Organisation: | Central Research Institute for Chemistry -Hungarian Academy of Sciences |
| E-Mail: | fabian@para.chem.elte.hu |
| Comments: | |
| Computer System: | irix |
| Name: | Christopher M. Hadad |
| Department: | Chemistry |
| Organisation: | Ohio State University |
| E-Mail: | hadad.1@osu.edu |
| Comments: | MO plots from Gaussian |
| Computer System: | IBM RS/6000 AIX 4.1.4 |
| Name: | Fabio Luiz Laurenti Garbujo |
| Department: | User Support |
| Organisation: | CENAPAD-SP |
| E-Mail: | garbujo@cenapad.unicamp.br |
| Comments: | |
| Computer System: | |
| Name: | Boris Proppe |
| Department: | Institut fuer Physikalische und Theoretische Chemie |
| Organisation: | Freie Universitaet Berlin |
| E-Mail: | boris@chemie.fu-berlin.de |
| Comments: | Visualize Gaussian results on small molecules(~20-40atoms) |
| Computer System: | HP,SGI |
| Name: | Luis Carballeira |
| Department: | Lab. Quimica Fisica |
| Organisation: | Universidad de Vigo |
| E-Mail: | uviqplco@ds.cesga.es |
| Comments: | visualization of G94 output |
| Computer System: | AIX 3.5 |
| Name: | Jong Dal Rhee |
| Department: | College of Pharmacy |
| Organisation: | Yeungnam University |
| E-Mail: | jdrhee@ynucc.yeungnam.ac.kr |
| Comments: | mo viewing |
| Computer System: | sgi & linux |
| Name: | Joseph Landman |
| Department: | Physics and Astronomy |
| Organisation: | Wayne State University |
| E-Mail: | landman@firestorm.physics.wayne.edu |
| Comments: | post processing of MD runs with charge density and defectcharacter information. |
| Computer System: | SGI IRIX 5.3 and 6.2 |
| Name: | Carles Bo |
| Department: | Departament de Quimica |
| Organisation: | Universitat Rovira i Virgili |
| E-Mail: | bo@quimica.urv.es |
| Comments: | to visualize molecular orbitals and related propertiesfor research problems and also for teaching purposes. |
| Computer System: | rs/6000 |
| Name: | Suvire Fernando Daniel |
| Department: | Quimica General |
| Organisation: | Universidad Nacional de San Luis |
| E-Mail: | fsuvire@unsl.edu.ar |
| Comments: | Conformational and electronic study of molecules with biological aplication |
| Computer System: | Dec OSF/1 |
| Name: | Ricard March |
| Department: | Quimica |
| Organisation: | Universitat Autonoma de Barcelona |
| E-Mail: | ricard@faraday.uab.es |
| Comments: | To plot some Gaussian output files. |
| Computer System: | Silicon Graphics |
| Name: | Emanuele Ortoleva |
| Department: | Physical chemistry and ELectrochemistry Dept. |
| Organisation: | University of Milan |
| E-Mail: | orto@rs14.csrsrc.mi.cnr.it |
| Comments: | electron density plotting in demostrations to students |
| Computer System: | IBM RS/6000 340 |
| Name: | Yoshitaka Fukumasu |
| Department: | |
| Organisation: | Yoshitomi Pharmaceutical Industries, LTD |
| E-Mail: | yoshicad@mxa.meshnet.or.jp |
| Comments: | retrieve the results(geometry optimization) |
| Computer System: | SGI |
| Name: | Driesner, Thomas |
| Department: | Geochemistry Group, Dept. of Earth Sciences |
| Organisation: | ETH Zuerich |
| E-Mail: | td@erdw.ethz.ch |
| Comments: | Visualization of results from Gaussian94 etc. |
| Computer System: | Linux |
| Name: | Martin Speis |
| Department: | FB 7 / Thermodynamik |
| Organisation: | Gerhard Mercator Universität -GH- Duisburg |
| E-Mail: | martin.speis@uni-duisburg.de |
| Comments: | Visualisation of GAUSSIAN 94. |
| Computer System: | UNIX (Sun, IBM, SGI, DEC, Intel-Linux) |
| Name: | Mauricio D. Coutinho Neto |
| Department: | Chemistry |
| Organisation: | University of Florida |
| E-Mail: | cneto@nersp.nerdc.ufl.edu |
| Comments: | Plot reaction dynamics with electron densities. |
| Computer System: | Linux and Sun |
| Name: | John Wilkie |
| Department: | Chemistry |
| Organisation: | University of St.Andrews |
| E-Mail: | jw5@st-and.ac.uk |
| Comments: | |
| Computer System: | IRIX 5.3 |
| Name: | Samuel Mikes |
| Department: | Department of Chemistry |
| Organisation: | Harvey Mudd College |
| E-Mail: | smikes@hmc.edu |
| Comments: | I am an undergraduate. I use molden to animatethe frequencies from Gaussian 94 jobs. |
| Computer System: | SGI Indigo2 -- Irix 5.3 |
| Name: | Alan Arnold |
| Department: | School of Chemistry |
| Organisation: | University College (UNSW) |
| E-Mail: | apa@adfa.oz.au |
| Comments: | As chemical/mime-type viewer.Would also like to investigate as tool for visualisation of Amsterdam Density Functionaloutput |
| Computer System: | Pentium/linux ; Indy4600SC |
| Name: | Li Sheng |
| Department: | Chemistry Department |
| Organisation: | NUS |
| E-Mail: | chmls@leonis.nus.sg |
| Comments: | |
| Computer System: | sgi |
| Name: | Stanislav Zalis |
| Department: | J. Heyrovsky Institute of Physical Chemistry |
| Organisation: | Academy of Sciences |
| E-Mail: | zalis@jh-inst.cas.cz |
| Comments: | visualisation of Gaussian 94 or gamess calculation on molecular systems |
| Computer System: | HP - C100 |
| Name: | Jens Kupferschmidt |
| Department: | URZ |
| Organisation: | Universitaet Leipzig |
| E-Mail: | kupferschmidt@rz.uni-leipzig.de |
| Comments: | We install it for the chemical department of ouruniversity. |
| Computer System: | HP-UX 9.x / 10.x |
| Name: | Nicolo' Francesco |
| Department: | Dip. Chim. Inorg. Anal. Fisica |
| Organisation: | University of Messina |
| E-Mail: | nicolo@medif0.unime.it |
| Comments: | We are an academic laboratory of X-ray diffraction crystallografpy and we would like to study the molecularstructures by a combination of MOLDEN with GAMESS/GAUSSIAN(GAMESS is already running, GAUSSIAN is planned for the future). |
| Computer System: | OpenVMS 6.1 VaxCluster (AXP+VAX) |
| Name: | Doz. Dr. Peter Wolschann |
| Department: | Institue of theor. Chemistry |
| Organisation: | University of Vienna |
| E-Mail: | Frank.Peter.Wolschann@univie.ac.at |
| Comments: | Visualizing Gaussian output |
| Computer System: | SGI |
| Name: | Maik Gottschalk |
| Department: | Pharmacy |
| Organisation: | University of Wuerzburg |
| E-Mail: | gottsc@cip.chemie.uni-wuerzburg.de |
| Comments: | |
| Computer System: | Linux |
| Name: | Dr M. Fearn |
| Department: | Electronics Sector |
| Organisation: | D.R.A |
| E-Mail: | hp003@dra.hmg.gb |
| Comments: | Only just obtained gamess/molden, hoping to use it to aid interpreptation of gamess runs. |
| Computer System: | SGI |
| Name: | Yoshiyuki Hase |
| Department: | Instituto de Quimica |
| Organisation: | Universidade Estadual de Campinas |
| E-Mail: | hase@iqm.unicamp.br |
| Comments: | |
| Computer System: | |
| Name: | Walter J. Stevens |
| Department: | Physical and Chemical Properties Division |
| Organisation: | National Institute of Standards and Technology |
| E-Mail: | walter.stevens@nist.gov |
| Comments: | Visualization of G94 and GAMESS results. |
| Computer System: | IBM RS6000/3CT |
| Name: | Dr. Gilles Frapper |
| Department: | National Research Council of Canada |
| Organisation: | Steacie Institute for Molecular Sciences |
| E-Mail: | frapper@titanium.sao.nrc.ca |
| Comments: | fot displaying molecules, frequencies from gaussian 94 output. |
| Computer System: | sgi |
| Name: | Jose Jair Vianna Cirino |
| Department: | Physical Chemistry |
| Organisation: | State University of Campinas |
| E-Mail: | jair@iqm.unicamp.br |
| Comments: | I use it to visualise some of the orbitals generated with gamess95. |
| Computer System: | FreeBSD 2.1.5 |
| Name: | Jerry Godbout |
| Department: | Department of Chemistry |
| Organisation: | Center for Photoinduced Charge Transfer |
| E-Mail: | godbout@chem.chem.rochester.edu |
| Comments: | visualizing normal modes |
| Computer System: | SGI |
| Name: | Anne von Fircks |
| Department: | Chemistry |
| Organisation: | University |
| E-Mail: | qiecx@mluche4.chemie.uni-halle.de |
| Comments: | doing a lot of MOPAC Calculation I hope to obtaina better visualization of my results |
| Computer System: | RISC |
| Name: | Peter Beverwyk |
| Department: | Department of Chemistry (MC/111) |
| Organisation: | University of Illinois at Chicago |
| E-Mail: | pete@samson.chem.uic.edu |
| Comments: | We use Molden for visualizing molecular orbitalsand energies from Gaussian 94 calculations toget a better understanding of chemical shift infamilies of molecular structures. |
| Computer System: | SGI |
| Name: | Fabio Pichierri |
| Department: | Tsukuba Life Science Center / Gene Bank Laboratory |
| Organisation: | The Institute of Physical and Chemical Research (RIKEN) |
| E-Mail: | fabio@rtc.riken.go.jp |
| Comments: | Visualization of GAMESS and GAUSSIAN-92 outputs. |
| Computer System: | Silicon Graphics, Indigo 4DRPC |
| Name: | Dr. Neil Henson |
| Department: | T-12 |
| Organisation: | Los Alamos National Laboratory |
| E-Mail: | neil.henson@lanl.gov |
| Comments: | Visualising data from Gaussian94 |
| Computer System: | SGI |
| Name: | wolfgang sippl |
| Department: | department of pharmaceutical chemistry |
| Organisation: | heinrich-heine-universitaet duesseldorf |
| E-Mail: | sippl@pharm.uni-duesseldorf.de |
| Comments: | display of molecular electrostatic potentials of drugs |
| Computer System: | sgi indigo2 |
| Name: | Bruno Manunza |
| Department: | DISAABA (Dept. Envir. Sci) |
| Organisation: | University of Sassari |
| E-Mail: | bruno@antas.agraria.uniss.it |
| Comments: | Visualize QM (GAMESS-GAUSSIAN) Results |
| Computer System: | IBM RS 6000 |
| Name: | Giuseppe Saba |
| Department: | Dipartimento Scienze Chimiche |
| Organisation: | Universita' degli Studi di Cagliari Italy |
| E-Mail: | pino@mvcch3.unica.it |
| Comments: | Analysis of MD simulation on polypeptides |
| Computer System: | Alpha AXP OSF1/2.0 |
| Name: | Primoz Peterlin |
| Department: | Institute of Biophysics |
| Organisation: | University of Ljubljana |
| E-Mail: | primoz.peterlin@biofiz.mf.uni-lj.si |
| Comments: | |
| Computer System: | HP715, HP-UX 9.05 |
| Name: | Peter Schwerdtfeger |
| Department: | Department of Chemistry |
| Organisation: | University of Auckland |
| E-Mail: | schwerd@ccu1.auckland.ac.nz |
| Comments: | Density plots |
| Computer System: | IBM RISC6000 AIX |
| Name: | Hiroki KIMOTO |
| Department: | Chemistry |
| Organisation: | National Defense Academy, JAPAN |
| E-Mail: | hero@cc.nda.ac.jp |
| Comments: | Visualization of MOPAC |
| Computer System: | DEC 3000 |
| Name: | Alessandro Bencini |
| Department: | Chimica |
| Organisation: | Universita' di Firenze |
| E-Mail: | bencini@chim1.unifi.it |
| Comments: | Visualization of molecular properties from ab initio and DFT calculations. |
| Computer System: | AIX; unix-osf |
| Name: | James F. Harrison |
| Department: | Chemistry |
| Organisation: | Michigan State University |
| E-Mail: | Harrison@cemvax.cem.msu.edu |
| Comments: | Animate Molecular Vibrations |
| Computer System: | Pentium 133 mhz |
| Name: | Oleg V. Shishkin |
| Department: | X-Ray Investigations Laboratory |
| Organisation: | A.N.Nesmeyanov Institute of Organoelement Compounds |
| E-Mail: | oleg@xray.ineos.ac.ru |
| Comments: | We use MOLDEN for analysis of electron densitydistribution in various molecules. |
| Computer System: | Pentium-100 under Linux |
| Name: | SIRI |
| Department: | Université de Provence |
| Organisation: | SREP |
| E-Mail: | siri@srepir2.univ-mrs.fr |
| Comments: | Orbital visualization Reactional pathway visualization |
| Computer System: | Silicon Graphics |
| Name: | Tsutomu Shinzawa |
| Department: | |
| Organisation: | |
| E-Mail: | shinz@lsi.tmg.nec.co.jp |
| Comments: | Study chemistry using Gamess. |
| Computer System: | FreeBSD(98) |
| Name: | Zdenek Chval |
| Department: | Faculty of Biology |
| Organisation: | University of South Bohemia |
| E-Mail: | chval@entu.cas.cz |
| Comments: | I want to use this program for visualisation ofan electrostatic potential computed by GAMESS. |
| Computer System: | SGI |
| Name: | Carlos Daniel Mandolesi |
| Department: | Departamento de Quimica e Ingenieria Quimica |
| Organisation: | Universidad Nacional del Sur |
| E-Mail: | cmandole@uns.edu.ar |
| Comments: | For studying molecular structure, for else |
| Computer System: | DOS 6.22 and WINDOWS 3.11 |
| Name: | Remacle Francoise |
| Department: | Chimie Physique |
| Organisation: | Universite de Liege |
| E-Mail: | francois@gamla.dynmol.chim.ulg.ac.be |
| Comments: | we want to use MOLDEN to visualize vibration modes, reaction path and electron densities for our lastyear students |
| Computer System: | indy |
| Name: | Joakim Westerberg |
| Department: | Physics Department, Quantum Cemistry |
| Organisation: | Stockholm University |
| E-Mail: | wberg@physto.se |
| Comments: | I am just about to figure it out.. |
| Computer System: | DEC Alpha |
| Name: | A. Lefering |
| Department: | |
| Organisation: | |
| E-Mail: | aleferin@netland.nl |
| Comments: | studyin combination with Mopac and rRasmol |
| Computer System: | linux |
| Name: | Dr. Dietrich Gudat |
| Department: | Institut f. Anorganische Chemie |
| Organisation: | Universitaet Bonn |
| E-Mail: | dgudat@uni-bonn.de |
| Comments: | Visualisation of output from Gaussian Calculations |
| Computer System: | SGI-Indigo (Irix 5.2) |
| Name: | Joel White |
| Department: | Neuroscience |
| Organisation: | Tufts University School of Medicine |
| E-Mail: | jwhite@opal.tufts.edu |
| Comments: | Will use Molden to view GAMESS output. |
| Computer System: | SunSoft's Interactive Unix (PC platform) |
| Name: | Antonio Fernandez-Ramos |
| Department: | Facultade de Quimica / Quimica Fisica |
| Organisation: | Universidade de Santiago de Compostela |
| E-Mail: | qftramos@usc.es |
| Comments: | Molecular Orbitals and Density view Z-Matrix building Geometric Optimization following |
| Computer System: | SGI |
| Name: | Richard L. Martin |
| Department: | Theoretical Division |
| Organisation: | Los Alamos National Laboratory |
| E-Mail: | rlm@t12.lanl.gov |
| Comments: | visualizing gaussian and mopac output -- great tool,thanks. if it had a sketcher so i could prepare coordinateinput for gaussian, mopac, i would use it for much of mywork. another feature which would be nice is to use themovie feature to observe molecualr dynamics trajectoriesas they are generated by the DRC option in MOPAC.Thanks again -- a nice tool. |
| Computer System: | HP 712 |
| Name: | Carlos Mauricio R. de Sant'Anna |
| Department: | Departamento de Quimica Organica |
| Organisation: | Universidade Federal do Rio de Janeiro |
| E-Mail: | mauricio@iq.ufrj.br |
| Comments: | Visualization and construction of molecular structures for semiempirical calculations. |
| Computer System: | Unix |
| Name: | Steve Gill |
| Department: | |
| Organisation: | |
| E-Mail: | skg@asis.com |
| Comments: | experimental use (I haven't tried it yet!) - I'll try it as a gaussian file converter |
| Computer System: | win 95 |
| Name: | Bart Rousseau |
| Department: | Department of Chemistry |
| Organisation: | University of Antwerp |
| E-Mail: | roussea@uia.ua.ac.be |
| Comments: | Visualization of vibrations, density etc. |
| Computer System: | |
| Name: | Hamish Wynn |
| Department: | Chemistry |
| Organisation: | Birkbeck College |
| E-Mail: | awynn01@students.bbk.ac.uk |
| Comments: | Gaussian interface |
| Computer System: | IRIS |
| Name: | Josep M. Anglada |
| Department: | Quimica Organica Biologica |
| Organisation: | CID-CSIC |
| E-Mail: | anglada@qteor1.cid.csic.es |
| Comments: | To represent density maps and Laplacians in quantum chemical calculations. |
| Computer System: | SGI |
| Name: | Giuseppe Ermondi |
| Department: | Dipartimento di Scienza e Tecnologia del Farmaco |
| Organisation: | University of Torino |
| E-Mail: | ermondi@ch.unito.it |
| Comments: | I am looking for program that permit to write z-matrix in a simple way. Furthermore I am interesting in calculation at ab-initio and semiempirical level and I'm intersting in program that permits to visualize the results. |
| Computer System: | silicon graphics |
| Name: | Stephen Klippenstein |
| Department: | Chemistry Department |
| Organisation: | Case Western Reserve University |
| E-Mail: | sjk5@po.cwru.edu |
| Comments: | I'm plotting orbitals from GAUSSIAN for the firsttime and found it amazingly easy to download and use MOLDEN for this. |
| Computer System: | IBM/RS6000 |
| Name: | Olaf Wiest |
| Department: | Department of chemistry and Biochemistry |
| Organisation: | University of Notre Dame |
| E-Mail: | wiest.1@nd.edu |
| Comments: | Visualization of G94 outputs |
| Computer System: | IBM RS6000; SGI R5K |
| Name: | Eros Albertazzi |
| Department: | LAMEL |
| Organisation: | CNR |
| E-Mail: | eros@lamel.bo.cnr.it |
| Comments: | visualize electron density in Si and SiC computed with gaussian 94 |
| Computer System: | Digital Alpha |
| Name: | HENON eric |
| Department: | CHIMIE |
| Organisation: | Laboratoire de Chimie-Physique |
| E-Mail: | jean.brion@cleo.univ-reims.fr |
| Comments: | I use Molden in order to exploit outputsfrom gaussian calculations. |
| Computer System: | HP APOLLO series 700 |
| Name: | Victor Manuel Rayon Rico |
| Department: | Departamento de Quimica-Fisica y Analitica |
| Organisation: | Facultad de Quimica. Universidad de Oviedo. |
| E-Mail: | vmrr@dwarf1.quimica.uniovi.es |
| Comments: | Molden is a powerfull tool to use with Gaussian94and GAMESS.It visualizes very well normal modes and M.O. |
| Computer System: | Pentium |
| Name: | Prof. Dr. Engin Ozdas |
| Department: | Physics Department |
| Organisation: | Hacettepe University |
| E-Mail: | ozdas@eti.cc.hun.edu.tr |
| Comments: | Molecular Modeling during the synthesis of new compound |
| Computer System: | Sun-Ultra1 Solaris2.5 |
| Name: | Luca PEDOCCHI |
| Department: | Dipartimento di Chimica |
| Organisation: | Università di Firenze |
| E-Mail: | luca@lcfs.chim.unifi.it |
| Comments: | density maps, orbitals' visualization |
| Computer System: | SGI CHALLENGE - IRIX 6.2 |
| Name: | Dr. Herbert Homeier, Institut für Physikalische und Theoretische Chemie |
| Department: | Naturwissenschaftliche Fakultät IV - Chemie und Pharmazie |
| Organisation: | Universität Regensburg |
| E-Mail: | Herbert.Homeier@chemie.uni-regensburg.de |
| Comments: | rchs3.uni-regensburg.de |
| Computer System: | rchs2.uni-regensburg.de |
| Name: | Jiro Abe |
| Department: | Department of Photo-Optical Engineering, Faculty of Engineering |
| Organisation: | Tokyo Institute of Polytechnics |
| E-Mail: | jiro@photo.t-kougei.ac.jp |
| Comments: | I will use this program to visualize the densitydifference map. I have some questions. Firstly, canI increase the number of grid points? The defaultvalue seems to be 61. Secondly, can I use the ECPbasis sets for metal? |
| Computer System: | DEC |
| Name: | Dominik Horinek |
| Department: | Chemistry |
| Organisation: | Universitaet Regensburg |
| E-Mail: | Dominik.Horinek@chemie.uni-regensburg.de |
| Comments: | view molecular structures & MOs fromGamess & Gaussian |
| Computer System: | SGI R5000 |
| Name: | Robert Burrow |
| Department: | Quimica |
| Organisation: | Universidade federal de Santa Maria |
| E-Mail: | rburrow@chem.utoronto.ca |
| Comments: | Visualization of GAMESS output. |
| Computer System: | Pentium/Linux |
| Name: | Patrick O'Malley |
| Department: | Chemistry |
| Organisation: | University of Manchester Institute of Science and Technology |
| E-Mail: | patrick@trigger.ch.umist.ac.uk |
| Comments: | Visualising output from G94 |
| Computer System: | SGI |
| Name: | Paul Kiprof |
| Department: | Chemistry |
| Organisation: | University of Minnesota Duluth |
| E-Mail: | pkiprof@d.umn.edu |
| Comments: | Analyzing output from GAMESS/US and Gaussian |
| Computer System: | SGI |
| Name: | yoshihito, shiota |
| Department: | molecular eng |
| Organisation: | kyoto university (master course ) |
| E-Mail: | j50130@sakura.kudpc.kyoto-u.ac.jp |
| Comments: | thank you very much , molden is very nice programm .I want to get optimized structure on irc caluclation. and tell me about how to drow more 250 MO !! |
| Computer System: | ibm,hp712 |
| Name: | Alexander V. Soudackov |
| Department: | Laboratory of Quantum Chemistry & Statistical Physics |
| Organisation: | Karpov Institute of Physical Chemistry |
| E-Mail: | souda@hp-lqcsp.nifhi.ac.ru |
| Comments: | For the visualization of GAMESS outputs |
| Computer System: | HP9000 under HPUX 10.10 |
| Name: | Araken dos Santos Werneck Rodrigues |
| Department: | Fisica |
| Organisation: | Universidade de Brasilia |
| E-Mail: | wernec@fis.unb.br |
| Comments: | To interface white the program Gamess, and use the resources to analyze of the propertiesof macromolecules sistens (biological or polimers). |
| Computer System: | Alpha AXP |
| Name: | Jozef Ulicny |
| Department: | Biophysics Dep. |
| Organisation: | University of P.J.Safarik |
| E-Mail: | ulicny@kosice.upjs.sk |
| Comments: | G94 output visualisation |
| Computer System: | UNIX |
| Name: | Frank Schouren |
| Department: | Universität zu Köln |
| Organisation: | Physikalische Chemie II |
| E-Mail: | F.Schouren@uni-koeln.de |
| Comments: | I would like to TRY to visualize the outputs of my GAUSSIAN-CASSCF-calculations ondiatomics, esp. MO's and orbital-energie-diagrams. |
| Computer System: | |
| Name: | Wen-Shyan Sheu |
| Department: | Chemistry |
| Organisation: | Fu-Jen Catholic University |
| E-Mail: | sheu@hermes.fju.edu.tw |
| Comments: | we would like to use Molden to display the results obtained from Gaussian94. |
| Computer System: | IBM RS6000 |
| Name: | Dr. Zhenyang LIN |
| Department: | Chemistry |
| Organisation: | The Hong Kong University of Science and Technology |
| E-Mail: | chzlin@chsg5.ust.hk |
| Comments: | Structure and Bonding studies in Inorganicand Organometallicmolecules. |
| Computer System: | Unix |
| Name: | Toshio Asada |
| Department: | Integrated Arts and Sciences |
| Organisation: | Osaka Prefecture University |
| E-Mail: | asada@chem.cias.osakafu-u.ac.jp |
| Comments: | Displaying molecular shape, view nomal mode vibration,and plotting molecular orbitals from G94. |
| Computer System: | Dell OMNI PLEX 590 with FreeBSD (X11R6) |
| Name: | Phil Branton |
| Department: | Department of Chemistry |
| Organisation: | University of Surrey |
| E-Mail: | p.branton@surrey.ac.uk |
| Comments: | Plan to use it for visualizing Gaussian output. |
| Computer System: | SG Indy |
| Name: | Sérgio Emanuel Galembeck |
| Department: | Departamento de Química |
| Organisation: | Universidade de São Paulo |
| E-Mail: | segalemb@lammol.ffclrp.usp.br |
| Comments: | I am planning to use Molden to help my group in the interpretation of MOPAC93R2, GAMESS and GAUSSIAN results. |
| Computer System: | SGI Indy WebForce; IBM 52H |
| Name: | Hoefer |
| Department: | Anorgan. Chemie |
| Organisation: | Universitaet Mainz |
| E-Mail: | hoefer@dacmza.chemie.uni-mainz.de |
| Comments: | displaying vibrations and MO' s from Gaussian output files |
| Computer System: | VMS |
| Name: | Ruediger Wittenberg |
| Department: | |
| Organisation: | TU Clausthal |
| E-Mail: | ruediger.wittenberg@tu-clausthal.de |
| Comments: | At this momment I can't say if I'll use the program during my studies. But I would like to use it in displaying properties of complex organic molecules. |
| Computer System: | Linux |
| Name: | Zhitao XU |
| Department: | Chem |
| Organisation: | HKUST |
| E-Mail: | chzxu@chsg5.ust.hk |
| Comments: | For the studies of structure& bonding of metal clusters. |
| Computer System: | Xwindow/sgi |
| Name: | merzel franci |
| Department: | laboratory for molecular modeling and NMR |
| Organisation: | national institute of chemistry |
| E-Mail: | franc@kihp1.ki.si |
| Comments: | displying the results of Gaussian program(electron density and electrostatic potential ofmolecules) |
| Computer System: | silicon graphics |
| Name: | balawender robert |
| Department: | Institute of Physical and Theoretical Chemistry |
| Organisation: | Technical University of WROCLAW |
| E-Mail: | robert@eleanor.ch.pwr.wroc.pl |
| Comments: | I use molden for preparinf and displaying results of my calaculations |
| Computer System: | linux |
| Name: | Ivar Martin |
| Department: | Bioorganic Chemistry |
| Organisation: | Institute of Chemistry |
| E-Mail: | ivarm@boc.ic.ee |
| Comments: | Visualization of MOPAC calculation results of asymmetric alkylation and condensation reactions |
| Computer System: | LINUX |
| Name: | deyerl |
| Department: | orgainische chemie |
| Organisation: | eth zürich |
| E-Mail: | deyerl@chen3.ethz.ch |
| Comments: | viewing molecular orbitals |
| Computer System: | RS6000/ AIX3 |
| Name: | Vincent Otten |
| Department: | Computational Chemistry |
| Organisation: | The Nottingham Trent University |
| E-Mail: | hc171vo01@ntu.ac.uk |
| Comments: | To work with the Gaussian Output Files |
| Computer System: | Sun (Solaris 5.5) |
| Name: | Guanghua Gao |
| Department: | |
| Organisation: | MSC, Caltech |
| E-Mail: | gao@wag.caltech.edu |
| Comments: | Visualize Orbitals |
| Computer System: | Unix |
| Name: | Tamio Tsukamoto |
| Department: | Natural Science |
| Organisation: | Osaka Women's University |
| E-Mail: | tamtam@thyme.nsci.osaka-wu.ac.jp |
| Comments: | Analyse of gamess & mopac93 output. |
| Computer System: | SGI Indy R4600PC / Irix 5.3 |
| Name: | Yasuhiro Kobori |
| Department: | Reaction Dynamics |
| Organisation: | Institute for Chemical Reaction Science, Tohoku Univ. |
| E-Mail: | ykobori@icrs.tohoku.ac.jp |
| Comments: | MO representation |
| Computer System: | |
| Name: | Professor Dr. Georg Schmeer |
| Department: | Institute of Physical and Theoretical Chemistry |
| Organisation: | University of Regensburg |
| E-Mail: | georg.schmeer@chemie.uni-regensburg.de |
| Comments: | Building of Molecules for Molecular Modellingand Molecular Dynamics Calculations |
| Computer System: | |
| Name: | Luke A. Burke |
| Department: | Chemistry |
| Organisation: | Rutgers University |
| E-Mail: | burke@camden.rutgers.edu |
| Comments: | Vib normal nodes, MO/Den/esp plots and perhaps more |
| Computer System: | Indigo2 |
| Name: | Dan Sorescu |
| Department: | Department of Chemistry |
| Organisation: | University of Pittsburgh |
| E-Mail: | dsorescu+@pitt.edu |
| Comments: | Visualization of Gaussian output |
| Computer System: | Indy R5000 |
| Name: | Kenzi Hori |
| Department: | Applied Chemistry abd Chemical Engineering |
| Organisation: | Yamaguchi University |
| E-Mail: | kenji@sparklx.chem.yamaguchi-u.ac.jp |
| Comments: | not now |
| Computer System: | IRIS and Sun |
| Name: | Damian Moran |
| Department: | Chemistry |
| Organisation: | Macquarie University |
| E-Mail: | damian.moran@mq.edu.au |
| Comments: | visualisation of gamess-us output. |
| Computer System: | SGI Irix 5.x , 6.x |
| Name: | Dr. Nico Sanna |
| Department: | |
| Organisation: | CASPUR |
| E-Mail: | sanna@caspur.it |
| Comments: | As a post-processing tool for Gaussian 94 jobs |
| Computer System: | Linux on PentiumPro |
| Name: | Hisayoshi Kobayashi |
| Department: | Dept. of Chemical Technology |
| Organisation: | Kurashiki University of Science and the Arts |
| E-Mail: | kobayasi@chem.kusa.ac.jp |
| Comments: | Draw electron density plots with Gaussian 94 and if possible with deMon. |
| Computer System: | SGI Ingy |
| Name: | Armando Navarro |
| Department: | Organic Chemistry |
| Organisation: | University of Santiago de Compostela |
| E-Mail: | qoajnv@uscmail.usc.es |
| Comments: | For the visualization of normal modes of vibration |
| Computer System: | silicon graphics Indigo |
| Name: | Patrick Bultinck |
| Department: | Inorganic and Physical Chemistry |
| Organisation: | University of Ghent |
| E-Mail: | Patrick.Bultinck@rug.ac.be |
| Comments: | Processing GAMESS and G94 outputto examine imag; frequencies in vibrational analysis. |
| Computer System: | IBM RS/6000 |
| Name: | noj malcolm |
| Department: | dept of chemistry, university of manchester |
| Organisation: | theory group |
| E-Mail: | noj.malcolm@man.ac.uk |
| Comments: | vis. of g94 output/input - for which it seems to be by far the best available code |
| Computer System: | hp735 |
| Name: | Brian J. Smith |
| Department: | |
| Organisation: | Biomolecular Research Institute |
| E-Mail: | brian.smith@mel.dbe.csiro.au |
| Comments: | Visualizing Gaussian output |
| Computer System: | SGI power challenge |
| Name: | Dr Kalman J. Szabo |
| Department: | Organic Chemistry |
| Organisation: | University of Uppsala |
| E-Mail: | kalman@kemi.uu.se |
| Comments: | Visualization of MOs and normal modes (research, education) |
| Computer System: | Alphastation 500 |
| Name: | Matthew Cooper |
| Department: | Manchester Computing |
| Organisation: | Manchester Visualization Centre |
| E-Mail: | m.cooper@mcc.ac.uk |
| Comments: | As yet nothing. I am assessing visualization packagesand making them available, where possible, to our users. |
| Computer System: | HPUX, IRIX-5.3/6.2 |
| Name: | Humberto Soscun |
| Department: | Inorganic chemistry (Scientific Computing Laboratory) |
| Organisation: | La Universidad del Zulia |
| E-Mail: | humberto@solidos.ciens.luz.ve |
| Comments: | To study the electornic density and the associatedproperties: laplacian. |
| Computer System: | PC, |
| Name: | ZOLTAN CSEPES |
| Department: | SURFACE PHYSICS |
| Organisation: | RESEARCH INSTITUTE FOR TECHNICAL PHYSICS |
| E-Mail: | csepes@mufi.hu |
| Comments: | Visualising computational results gained by GAMESS for molecular structures of interest in surface physics and ab initio quantum chemistry. |
| Computer System: | LINUX |
| Name: | Witold Piskorz |
| Department: | Dept. of Chemistry |
| Organisation: | Jagiellonian University |
| E-Mail: | wpiskorz@tichy.ch.uj.edu.pl |
| Comments: | Visualization of the moleculeswith an opportunity of the publication-qualitypostscript or other vector format export. |
| Computer System: | Linux |
| Name: | Slawomir Z. Janicki |
| Department: | Chemistry |
| Organisation: | University of Illinois |
| E-Mail: | slawek@alchmist.scs.uiuc.edu |
| Comments: | To display MO's from Gaussian 94 |
| Computer System: | AIX,IRIX |
| Name: | Ramon Garduno Juarex, Ph. D. |
| Department: | Instituto de Fisica, Lab. Cuernavaca |
| Organisation: | Universidad Nacional Autonoma de Mexico |
| E-Mail: | ramon@ce.ifisicam.unam.mx |
| Comments: | Visualization of MOPAC, AMPAC MOs |
| Computer System: | SGI Unix |
| Name: | john connolly |
| Department: | chemistry |
| Organisation: | university of missouri-kansas city |
| E-Mail: | connolly@cctr.umkc.edu |
| Comments: | display of mo's on a linux box. I'm having trouble compiling the program rith now. See attached message: The molden3.2 binary for linux causes a segmentation fault on my system. When trying to use the makefile which came with the distribution I get the following error message:f77 -c atomdens.f -o atomdens.of2ctmp_atomdens.f: BLOCK DATA atomdens:Compiler error line 29 of f2ctmp_atomdens.f: Impossible tag 0 in routine frexprmake: *** [atomdens.o] Error 4I have a slakware distribution with (elf) kernel 2.0.15, 32 mbytes ram, running XFree86 version 3.2.f2c is usually an adventure for me, although I eventually did successfully compile gamess and the yaehmop package out of Cornell. If you could point me in the right direction I would appreciate it.Thanks, Jack Connolly(connolly@cctr.umkc.edu) |
| Computer System: | |
| Name: | Dr Alan Hinchliffe |
| Department: | Department of Chemistry |
| Organisation: | UMIST |
| E-Mail: | alan.hinchliffe@umist.ac.uk |
| Comments: | |
| Computer System: | |
| Name: | Mark Timken |
| Department: | Chemistry |
| Organisation: | Widener University |
| E-Mail: | timken@science.widener.edu |
| Comments: | mainly to visualize output of GAMESS-US runs; for educational/research purposes |
| Computer System: | linux on a pentium |
| Name: | Philippe halvick |
| Department: | Laboratoire de Physicochimie Theorique |
| Organisation: | Universite Bordeaux I |
| E-Mail: | halvick@lpct.u-bordeaux.fr |
| Comments: | view results of Gaussian and Ampacget a paper plot of molecular structure |
| Computer System: | HP, SGI, IBM |
| Name: | Jens Dittmar |
| Department: | Physical and Theoretical Chemistry |
| Organisation: | University of Leipzig |
| E-Mail: | dittmar@sonne.tachemie.uni-leipzig.de |
| Comments: | visualization of GAUSSIAN94 output:input check/optimization tracing/MO's |
| Computer System: | Pentium100/Linux |
| Name: | Jose Ignacio Garcia |
| Department: | Quimica Organica |
| Organisation: | Instituto de Ciencia de Materiales de Aragon |
| E-Mail: | jig@qorg1.unizar.es |
| Comments: | Visualization of molecular structures, vibrations and molecular orbitals from MOPAC and Gaussian 94 calculations |
| Computer System: | HP C160 under HP-UX 10.20 |
| Name: | Nithya Srinivasan |
| Department: | Chemical Engineering |
| Organisation: | University of Louisville |
| E-Mail: | n0srin01@homer.louisville.edu |
| Comments: | To visualize G94 output |
| Computer System: | IRIX |
| Name: | David A. Hrovat |
| Department: | Chemistry |
| Organisation: | University of Washington |
| E-Mail: | hrovat@chem.washington.edu |
| Comments: | Post calculation processing of data from Gaussianand GAMESS output. |
| Computer System: | IBM RS/6000 AIX3.2.5 |
| Name: | Gabriele Costantino |
| Department: | Istituto di Chimica e Tecnologia del Farmaco |
| Organisation: | University of Perugia |
| E-Mail: | gabri@iris.chimfarm.unipg.it |
| Comments: | Visualize GAMESS outputs |
| Computer System: | SGI/IBM R6000 |
| Name: | Dr. Tim Evans |
| Department: | School of Chemistry |
| Organisation: | The Queen's University of Belfast |
| E-Mail: | tim.evans@qub.ac.uk |
| Comments: | Input and output of GAMESS(UK) data |
| Computer System: | Silicon Graphics |
| Name: | Matthias Stein |
| Department: | Biophysical Chemistry |
| Organisation: | Technical University Merlin |
| E-Mail: | ms@struktur.chem.tu-berlin.de |
| Comments: | |
| Computer System: | IBM RS/6000 |
| Name: | David Moncrieff |
| Department: | Supercomputer Computations Research Institute |
| Organisation: | Florida State University |
| E-Mail: | moncrieff@scri.fsu.edu |
| Comments: | Display Ab Initio plots from Gaussian |
| Computer System: | AIX,HP,AXP,SGI |
| Name: | Andrzej Jarzecki |
| Department: | Chemistry |
| Organisation: | University of Arkansas |
| E-Mail: | jarzecki@uafchem1.uark.edu |
| Comments: | To view vibrational modes |
| Computer System: | UNIX |
| Name: | Herreboudt |
| Department: | 98 |
| Organisation: | ENSTA |
| E-Mail: | herrebou@ensta.fr |
| Comments: | |
| Computer System: | linux |
| Name: | John G. Russell |
| Department: | Department of Chemistry |
| Organisation: | California State University, Sacramento |
| E-Mail: | russellj@csus.edu |
| Comments: | View Gassiaun and MOPAC results |
| Computer System: | linux |
| Name: | Tamas VESZPREMI |
| Department: | Department for inorganic chemistry |
| Organisation: | Technical University of Budapest |
| E-Mail: | root@iris.inc.bme.hu |
| Comments: | Plotting orbitals, molecules and toltal electron densities,writing Z-matrices, viewing outputs and inputs |
| Computer System: | SGI Indigo(R4000), Origin200(r10000) |
| Name: | Hou tingjun |
| Department: | Department of Chemisty |
| Organisation: | Peking University |
| E-Mail: | htjcsl@chemms.pku.edu.cn |
| Comments: | |
| Computer System: | Scounix |
| Name: | Ivan Cernusak |
| Department: | Chemistry & Biochemistry |
| Organisation: | University of Maryland Baltimore County |
| E-Mail: | cernusak@umbc.edu |
| Comments: | 2D & 3D plots or MO's, MEP maps, el.density maps |
| Computer System: | unix |
| Name: | Eugene Kryachko |
| Department: | |
| Organisation: | Bogoliubov Institute for Theoretical Physics |
| E-Mail: | eugen@gluk.apc.org |
| Comments: | Building molecular structure |
| Computer System: | Linux |
| Name: | Eliseo Ruiz |
| Department: | Inorganic Chemistry Department |
| Organisation: | Unbiversity of Barcelona |
| E-Mail: | eliseo@linus.qui.ub.es |
| Comments: | visualization of gaussian files |
| Computer System: | SGI |
| Name: | Alan Aspuru Guzik |
| Department: | Theoretical and Physical Chemistry, UNAM |
| Organisation: | Universidad Nacional Autonoma de Mexico |
| E-Mail: | aspuru@servidor.unam.mx |
| Comments: | Use of GNU/GPL alternatives for Quantum and Physical Chemistry I am an undergraduate student interested in programming for this activities, and your program is excellent. Keep on with the good work! |
| Computer System: | Linux. |
| Name: | Declan Doyle |
| Department: | |
| Organisation: | Rockefeller University |
| E-Mail: | doyled@rockvax.rockefeller.edu |
| Comments: | Representation of crystallographic pdb models |
| Computer System: | SGI irix 5.3 |
| Name: | Guenter Fritz |
| Department: | Fakultaet f. Biologie, Universitaet Konstanz |
| Organisation: | AG Kroneck |
| E-Mail: | fritz@epikur.biologie.uni-konstanz.de |
| Comments: | Visualisation of protein structures, potential surfaces of small molecules, visulisation of mopac, gaussian output |
| Computer System: | SGI Indigo2 |
| Name: | Ping Lin |
| Department: | Dept. of Chem |
| Organisation: | Texas A&M Univ. |
| E-Mail: | plin@chemvx.tamu.edu |
| Comments: | To extract information from the output of GAUSSIAN94 |
| Computer System: | SGI IRIX6.1 |
| Name: | Wesley Schaal |
| Department: | Organic Pharmaceutical Chemistry |
| Organisation: | Uppsala University |
| E-Mail: | wes@orgf1.bmc.uu.se |
| Comments: | view G94 results |
| Computer System: | SGI, Irix 5.3 |
| Name: | Patrick Moore |
| Department: | Chimica Biologica |
| Organisation: | University of Verona |
| E-Mail: | Moore@borgoroma.univr.it |
| Comments: | model pyridoxal phosphate-amino acid complexes |
| Computer System: | Windows95,Netscape3.0 |
| Name: | Thys Gerd |
| Department: | Scheikunde - Dienst Structuurchemie |
| Organisation: | Universitaire Instelling Antwerpen (UIA) |
| E-Mail: | thys@uia.ua.ac.be |
| Comments: | electron density / molecular intensities of organic molecules:graphical representation of MOPAC output |
| Computer System: | UNIX (IRIX) |
| Name: | Prof. Dr. Vukic Soskic |
| Department: | Biochemistry |
| Organisation: | Faculty of Chemistry |
| E-Mail: | vsoskic#hf01.chem.bg.ac.yu |
| Comments: | |
| Computer System: | Windows 95 |
| Name: | Pericles D. Akrivos |
| Department: | Chemistry, Laboratory of Inorganic Chemistry |
| Organisation: | Aristotle University of Thessaloniki |
| E-Mail: | akrivos@chem.auth.gr |
| Comments: | Teaching purposes for 2nd and 4th semester students who are taught the principles of basic computations on small molecules |
| Computer System: | VAX 9000 operating under VMS 5.5 |
| Name: | Stefan Beils |
| Department: | |
| Organisation: | Uni Bielefeld |
| E-Mail: | Stefan.Beil@post.uni-bielefeld.de |
| Comments: | Visualize some structures calculated with gaussian 94 |
| Computer System: | Linux |
| Name: | Chris Page |
| Department: | Department of Chemistry |
| Organisation: | Imperial College |
| E-Mail: | c.s.page@ic.ac.uk |
| Comments: | Visualisation of Gaussian Input/Output, MEPs,Connolly surfaces |
| Computer System: | SGI Indigo Elan |
| Name: | Peter Knowles |
| Department: | School of Chemistry |
| Organisation: | University of Birmingham |
| E-Mail: | P.J.Knowles@bham.ac.uk |
| Comments: | Front-end to quantum chemistry codes |
| Computer System: | SGI |
| Name: | Lloyd N. Ghauharali |
| Department: | BioFarmaceutsche Wetenschappen |
| Organisation: | Rijks Universiteit Leiden |
| E-Mail: | ghauhara@chem.vu.nl, lloyd@rulglv.leidenuniv.nl |
| Comments: | The visualisation of MEPs calculated by GAMESS-UK.I'd like to be able to choose my own colors andmy own grid size |
| Computer System: | Silicon Graphics IRIX Indigo |
| Name: | Peeters Daniel |
| Department: | Chemistry- Labo Chimie Quantique |
| Organisation: | Universite Catholique de Louvain |
| E-Mail: | Peeters@cpmc.ucl.ac.be |
| Comments: | 3D views of Gaussian94 output |
| Computer System: | UNIX- AIX- IBM/RS6000 |
| Name: | Paul Rademacher |
| Department: | Institute of Organic Chemistry |
| Organisation: | University of Essen |
| E-Mail: | radem@oc1.orgchem.uni-essen.de |
| Comments: | Input and output of files for or from quantum chemical calculations. |
| Computer System: | |
| Name: | anastasio nogueron garcia |
| Department: | quimica organica |
| Organisation: | instituto politacnico nacional |
| E-Mail: | anoguer@vmredipn.ipn.mx |
| Comments: | |
| Computer System: | windows 3.xx |
| Name: | Csaba Magyar |
| Department: | |
| Organisation: | Institute of Enzymology, Hungarian Acedemy of Sciences |
| E-Mail: | magyarcs@enzim.hu |
| Comments: | I plan to use it with GAMESS. |
| Computer System: | Intel Linux |
| Name: | Dean Antic |
| Department: | Department of Chemistry and Biochemistry |
| Organisation: | University of Colorado at Boulder |
| E-Mail: | antic@eefus.colorado.edu |
| Comments: | HOPEFULLY I WILL BE ABLE TO DISPLAY TRANSITION DENSITIES. |
| Computer System: | SGI/IRIX, UNIX/AIX |
| Name: | Gabor I. Csonka |
| Department: | Inorganic Chemistry |
| Organisation: | Budapest University of Technology |
| E-Mail: | csonka@web.inc.bme.hu |
| Comments: | see my Lpaplacian paper published in 1995 nov. ECCC2http://www.ch.bme.hu/inc/csg.html |
| Computer System: | SGI, IBM |
| Name: | Widauer, Christoph |
| Department: | Inorganic Chemistry |
| Organisation: | ETH, Zuerich |
| E-Mail: | widauer@inorg.chem.ethz.ch |
| Comments: | Visualization of Calculations run with G94 |
| Computer System: | sgi |
| Name: | Thomas Wagener |
| Department: | FB Chemie |
| Organisation: | Philipps-Universität Marburg |
| E-Mail: | wagenert@mailer.uni-marburg.de |
| Comments: | Processing Gaussian outputs |
| Computer System: | linux |
| Name: | Marc Baaden |
| Department: | UMR 50 CNRS-BRUKER-ULP |
| Organisation: | Universite Louis Pasteur |
| E-Mail: | marc@diabolo.u-strasbg.fr |
| Comments: | Visualizing Gaussian output, examination of the differentsteps of geometry opimization and convergence behaviour |
| Computer System: | SGI IRIX diabolo 5.2 02282016 IP22 mips |
| Name: | Li, Yong-Wang |
| Department: | Computation division |
| Organisation: | Sate-Key Laboratory of Coal Conversion |
| E-Mail: | later |
| Comments: | display the results from GAMESS |
| Computer System: | SGI |
| Name: | Maria Cristina dos Santos |
| Department: | Depto. de Fisica do Estado Solido |
| Organisation: | Universidade Estadual de Campinas |
| E-Mail: | cristina@ifi.unicamp.br |
| Comments: | Charge density plots for organic conjugatedmolecules calculated from GAMESS |
| Computer System: | IBM RISC/6000 37T |
| Name: | Guosheng LI |
| Department: | |
| Organisation: | |
| E-Mail: | li@incm.u-nancy.fr |
| Comments: | As convenient as possibleAs powerful as possible |
| Computer System: | IBM/RS6000 AIX 4.1.2 |
| Name: | Monica Hilliard |
| Department: | Chemistry |
| Organisation: | Washington State University |
| E-Mail: | 60064883@wsuvm1.csc.wsu.edu |
| Comments: | To visualize MO's obtained from Gaussian output on transition metal complexes. |
| Computer System: | SGI Indy |
| Name: | Hwa-Suck Cho |
| Department: | Department of Physics |
| Organisation: | Yeungnam University |
| E-Mail: | hscho@ynucc.yeungnam.ac.kr |
| Comments: | Analisys of results in GAUSSIAN94's output-file. |
| Computer System: | |
| Name: | Dr. Hans-Gert Korth |
| Department: | Institut fuer Organische Chemie |
| Organisation: | Universitaet - GH Essen |
| E-Mail: | hgk@oc1.orgchem.uni-essen.de |
| Comments: | Visualization of GAUSSIAN data |
| Computer System: | SGI Indy |
| Name: | Dr O. Parchment |
| Department: | Department of Chemistry |
| Organisation: | University Of Surrey |
| E-Mail: | chs1op@surrey.ac.uk |
| Comments: | Primarily for viewing orbitals |
| Computer System: | Silicon Graphics |
| Name: | Nancy Kim |
| Department: | Chemistry |
| Organisation: | The University of Illinois at Chicago |
| E-Mail: | u32756@uic.edu |
| Comments: | |
| Computer System: | SilliconGraphics |
| Name: | Antonio Julio Lossio Botelho Junior |
| Department: | Department of Drugs |
| Organisation: | Federal University of Rio de Janeiro |
| E-Mail: | jjunior@unikey.com.br |
| Comments: | WE intend to use molden to see the results of MOPAC calculation, to draw plot and animations etc. |
| Computer System: | LINUX and FreeBSD |
| Name: | Anders Sandstrom |
| Department: | Bioorganic Chemistry |
| Organisation: | Uppsala University, Sweden |
| E-Mail: | Anders.Sandstrom@BioorgChem.uu.se |
| Comments: | Visualization of G-94 results |
| Computer System: | SGI Indy R4400 SC |
| Name: | Dirk Neumann |
| Department: | Department of Inorganic Chemistry |
| Organisation: | Humboldt University Berlin |
| E-Mail: | neumann@chemie.hu-berlin.de |
| Comments: | visualization of Gaussain outputs (MOs, densities,laplacian) |
| Computer System: | IRIX, Linux |
| Name: | Pamela R. Seida |
| Department: | Chemistry and Biochemistry |
| Organisation: | University of Delaware |
| E-Mail: | pseida@udel.edu |
| Comments: | visualization of computational results |
| Computer System: | Silicon Graphics |
| Name: | RAJEEV PRABHAKAR |
| Department: | fysikum |
| Organisation: | STOCKHOLM UNIVERSITY |
| E-Mail: | raju@physto.se |
| Comments: | academic purposes |
| Computer System: | vanqc37 |
| Name: | Wijnand Mooij |
| Department: | Crystal and Structural Chemistry |
| Organisation: | Utrecht University |
| E-Mail: | w.t.m.mooij@chem.ruu.nl |
| Comments: | Z-matrix editorGamess output visualization |
| Computer System: | Silicon Graphics |
| Name: | Robert B. Yelle |
| Department: | Department of Chemistry & Chemical Biology |
| Organisation: | Harvard University |
| E-Mail: | yelle@tammy.harvard.edu |
| Comments: | For displaying molecular orbitals and electron density. |
| Computer System: | Hewlett-Packard |
| Name: | Anthony Kucernak |
| Department: | Department of Chemistry |
| Organisation: | Imperial College of Science |
| E-Mail: | a.kucernak@ic.ac.uk |
| Comments: | visualisation of output from Gaussian 94 |
| Computer System: | SG |
| Name: | Ulrike Salzner |
| Department: | Chemistry |
| Organisation: | Memorial University of Newfoundland |
| E-Mail: | uli@smaug.physics.mun.ca |
| Comments: | visualization of molecular orbitals |
| Computer System: | Dec alpha |
| Name: | Maho Nakata |
| Department: | Quantum Chemistry |
| Organisation: | Kyoto University |
| E-Mail: | maho@quanta.synchem.kyoto-u.ac.jp |
| Comments: | |
| Computer System: | Dec alpha |
| Name: | Fabio Mariotti |
| Department: | Chimica |
| Organisation: | University of Florence |
| E-Mail: | mariotti@chim.unifi.it |
| Comments: | |
| Computer System: | Linux / AIX |
| Name: | Daniel Ormsby |
| Department: | The School Of Chemistry |
| Organisation: | The University Of Leeds |
| E-Mail: | D.Ormsby@chemistry.leeds.ac.uk |
| Comments: | I've been using Molden to visualise Gaussian minimization runs,and plan to use it to create pictures for presentation purposes. |
| Computer System: | PC and SUN versions currently in use |
| Name: | Mauricio Carrillo Tripp |
| Department: | Biophysics |
| Organisation: | UNAM |
| E-Mail: | tripp@usa.net |
| Comments: | visualization of ab-initio calculations of biologicalmolecules structures |
| Computer System: | hp |
| Name: | Jason L. Stuber |
| Department: | Applied Mathematics |
| Organisation: | University of Waterloo |
| E-Mail: | jlstuber@barrow.uwaterloo.ca |
| Comments: | Examination of molecular orbitals from GAMESS. |
| Computer System: | RISC/6000 (AIX) |
| Name: | Xiao Zeng |
| Department: | Chemistry |
| Organisation: | Univ. of Nebraska |
| E-Mail: | xzeng@unlinfo.unl.edu |
| Comments: | |
| Computer System: | SGI |
| Name: | JESUS MENDIETA PEREZ |
| Department: | LAB. DE COMPUTACION DE LA FAC. CS. QUIMICAS |
| Organisation: | UNIVERSIDAD AUTONOMA DE PUEBLA |
| E-Mail: | jmendiet@cen.buap.mx |
| Comments: | We want to calculate and view the electronic density of differents steroids |
| Computer System: | LINUX |
| Name: | Jaeger |
| Department: | Biochemistry |
| Organisation: | Leeds University |
| E-Mail: | jj@bmb.leeds.ac.uk |
| Comments: | Inspection of models, modelling? and make slides |
| Computer System: | IRIX and OSF |
| Name: | Erik F.Y. Hom |
| Department: | Chemistry/Biochemistry & Pharmacology |
| Organisation: | UCSD |
| E-Mail: | ehom@ucsd.edu |
| Comments: | Examine e- density and DMA/ESP charge derivations,from GAMESS output.Related to MD forcefield parametrizations and as a tool in calculations on spectral propertiesof chromophores. |
| Computer System: | SGI IRIX |
| Name: | Andre H. Juffer |
| Department: | Department of Biological Sciences |
| Organisation: | The University of Calgary |
| E-Mail: | andre@bioboss.bio.ucalgary.ca |
| Comments: | |
| Computer System: | SGI, R5000 to R10000, IRIX 5.3 to 6.2 |
| Name: | Jeff Dyason |
| Department: | Medicinal Chemistry |
| Organisation: | Victorian College of Pharmacy, Monash University |
| E-Mail: | jeff.dyason@vcp.monash.edu.au |
| Comments: | We are hoping to use Molden to produce animations ofsome simple vibrations for teaching undergraduatepharmacists about infrared spectroscopy. |
| Computer System: | SGI Power Indigo 2 |
| Name: | David De Corte |
| Department: | Inorganic Chemistry |
| Organisation: | Univesity of Fribourg |
| E-Mail: | David.Decorte@unifr.ch |
| Comments: | Gaussian output vizualisation |
| Computer System: | indigo2 (sgi) |
| Name: | Robert Ponec |
| Department: | |
| Organisation: | Institute of Chemical Process Fundamentals, Czech Acad. Sci. |
| E-Mail: | rponec@icpf.cas.cz |
| Comments: | the visualisation of orbitals and densities from Mopac and Gaussian |
| Computer System: | Pentium/Windows NT |
| Name: | paul mazurkiewicz |
| Department: | chemistry |
| Organisation: | oregon state university |
| E-Mail: | paul@scorpio.als.orst.edu |
| Comments: | To visualize the highest occupied orbitals of radical anions calculated using density functional theory (Gaussian 94) |
| Computer System: | DEC ALPHA |
| Name: | Francesco Lelj |
| Department: | Chemistry |
| Organisation: | Universita' della Basilicata |
| E-Mail: | lelj@unibas.it |
| Comments: | Plot of orbital, density, normal mode Output from Gaussian94, Mopac Handling of Z matrix Plot on paper and files as Postscript or HPGL |
| Computer System: | Dec Unix v4.0b |
| Name: | Alessandra Degli Esposti |
| Department: | Istituto di Spettroscopia Molecolare |
| Organisation: | Consiglio nazionale delle Ricerche |
| E-Mail: | alex@ism.bo.cnr.it |
| Comments: | to have a look at it for the time being |
| Computer System: | ibm risc600 : aix3.2.5 and aix4.1 |
| Name: | Djordje STOJAKOVIC |
| Department: | General and Inorganic Chemistry |
| Organisation: | Faculty of Technology and Metallurgy, Univ. of Belgrade |
| E-Mail: | stojakovic@elab.tmf.bg.ac.yu |
| Comments: | To visualise MOs obtained by GAMESS (U.S.A.) calculations. |
| Computer System: | Intel Pentium PC |
| Name: | Hans Heitele |
| Department: | Physical Chemistry I |
| Organisation: | Technical University of Munich |
| E-Mail: | hheitele@zentrum.phys.chemie.tu-muenchen.de |
| Comments: | display results of calculations using GAUSSIAN |
| Computer System: | Linux |
| Name: | Georg Jansen |
| Department: | Institut fuer Theoretische Chemie |
| Organisation: | Universitaet Duesseldorf |
| E-Mail: | georg@theochem.uni-duesseldorf.de |
| Comments: | Molecular orbital and normal mode analysis usingGaussian94 outputs. |
| Computer System: | DEC alpha |
| Name: | Andrei L. Tchougreeff |
| Department: | |
| Organisation: | Center for Computational Chemistry |
| E-Mail: | andrei@keldysh.ru |
| Comments: | |
| Computer System: | Indigo-2 |
| Name: | M. G. Davidson |
| Department: | Chemistry |
| Organisation: | University of Durham |
| E-Mail: | m.g.davidson@dur.ac.uk |
| Comments: | |
| Computer System: | |
| Name: | Frederick P. Arnold, Jr. |
| Department: | Chemistry |
| Organisation: | University of Chicago |
| E-Mail: | fparnold@solids.uchicago.edu |
| Comments: | 3-d visualizations of Gaussian and Gamess-US output under Irixand WinNT. I also plan to use it for teaching purposses in teh computational chemistry lab. |
| Computer System: | Irix 6.2, NT 4.0 |
| Name: | Wu, Chen-Chang |
| Department: | chemistry |
| Organisation: | National Chung-Hsing University |
| E-Mail: | ccwu@mail.nchu.edu.tw |
| Comments: | The MOLDEN will be well, If the Windows95 versionis abailable. |
| Computer System: | aix (ibm/rs6000) |
| Name: | Allouche A.R. |
| Department: | physique (Batiment 205) |
| Organisation: | Universite Claude Bernard |
| E-Mail: | allouche@hplasim2.univ-lyon1.fr |
| Comments: | |
| Computer System: | |
| Name: | Zoran Glasovac |
| Department: | Dept. of Chemistry |
| Organisation: | Rudjer Boskovic Institute |
| E-Mail: | glasovac@emma.irb.hr |
| Comments: | Viewing of MOs and analysis of outputs from quantum chemical calculations. |
| Computer System: | LINUX |
| Name: | ALMERICO |
| Department: | FARMACOCHIMICO |
| Organisation: | UNIVERSITY |
| E-Mail: | farmachim@mbox.unipa.it |
| Comments: | |
| Computer System: | |
| Name: | Atila Barna |
| Department: | * |
| Organisation: | * |
| E-Mail: | atila@xtra.co.nz |
| Comments: | I am a food technologist, and in the near future I will continue my studies majoring in chemistry. This program will be a great help to me. For now I have to explore it's features. |
| Computer System: | Windows95 |
| Name: | Nancy Silva |
| Department: | Biotecnologia |
| Organisation: | ITESM |
| E-Mail: | npsilva@academ01.mty.itesm.mx |
| Comments: | Design of molecules, animation of chemical reactionstool for making organic synthesis |
| Computer System: | |
| Name: | P Spencer Davis |
| Department: | Chemistry Department |
| Organisation: | Ball State University |
| E-Mail: | 00S0DAVIS@bsuvc.bsu.edu |
| Comments: | To plot MO's generated by Gaussian 94 for windows. (mostly of transition metal complexs)and those generated by Gamess when we get our copy running. |
| Computer System: | Windows-95 |
| Name: | Jose Molina Molina |
| Department: | Grupo de Modelizacion y Diseño Molecular |
| Organisation: | Universidad de Granada |
| E-Mail: | jmolina@goliat.ugr.es |
| Comments: | Display results from Gaussian ab initio calculationsof Transition metal complexes. Charge density, Laplacian and orbitals. |
| Computer System: | LINUX |
| Name: | Mario Alberto Duque Noreña |
| Department: | Chemistry |
| Organisation: | Universidad de Antioquia |
| E-Mail: | mduque@catios.udea.edu.co |
| Comments: | For Molecules Modeling |
| Computer System: | PC Pentium 133 Windows 95 |
| Name: | Jürgen Kraus |
| Department: | Institute of Organic Chemistry |
| Organisation: | University of Würzburg |
| E-Mail: | kraus@chemie.uni-wuerzburg.de |
| Comments: | |
| Computer System: | UniX (IRIX5.3), LinuX |
| Name: | Dr. Javier Modrego |
| Department: | Department of Inorganic Chemistry |
| Organisation: | University of Zaragoza |
| E-Mail: | modrego@posta.unizar.es |
| Comments: | Analysis of the electronic structure of organometalliccompounds. |
| Computer System: | Alpha + Open VMS |
| Name: | Walter H. Jones |
| Department: | |
| Organisation: | Walter H. Jones, Consultant |
| E-Mail: | wjones@roadrunner.com |
| Comments: | I wish to take GAUSSIAN and MOPAC output from a remote computer and generate diagrams of the molecular structures on my PC, which is equippedwith LINUX. |
| Computer System: | |
| Name: | Jan Labanonowski |
| Department: | |
| Organisation: | Ohio Supercomputer Center |
| E-Mail: | jkl@osc.edu |
| Comments: | Visualizing molecules and MOs |
| Computer System: | Sparc, SGI |
| Name: | Teresa de Aguero |
| Department: | Science |
| Organisation: | ITESM-Campus Guadalajara |
| E-Mail: | tdeaguer@campus.gda.itesm.mx |
| Comments: | |
| Computer System: | |
| Name: | Piotr Rozyczko |
| Department: | University of Florida |
| Organisation: | Quantum Theory Project |
| E-Mail: | piotr@qtp.ufl.edu |
| Comments: | Front and back end to the ACESII program package.Modification of Molden to support ACESII format. |
| Computer System: | SUN Solaris, IBM AIX |
| Name: | Chris Dateo |
| Department: | THERMOSCIENCES INSTITUTE |
| Organisation: | ELORET INSTITUTE |
| E-Mail: | dateo@pegasus.arc.nasa.gov |
| Comments: | view mol geom, freqs, orbitals from electronic structure outputs |
| Computer System: | IBM RISC/6000 595 |
| Name: | Alexei Nikolaev |
| Department: | Chemistry |
| Organisation: | University of Pittsburgh |
| E-Mail: | anikol+@pitt.edu |
| Comments: | visualizing vibrational modes, printing out pictures, editing gaussian input |
| Computer System: | Irix |
| Name: | r. g. linck |
| Department: | Chemistry |
| Organisation: | Smith College |
| E-Mail: | rlinck@sophia.smith.edu |
| Comments: | To view vibrations from Gaussian, and whateverelse it will do. |
| Computer System: | SGI |
| Name: | dr geza horvath |
| Department: | pet centre |
| Organisation: | university school of medicine |
| E-Mail: | horvath@petindigo.atomki.hu |
| Comments: | |
| Computer System: | windows nt |
| Name: | Dr. Satyam PRIYADARSHY |
| Department: | CHEMISTRY |
| Organisation: | UNIVERSITY OF PITTSBURGH |
| E-Mail: | satyam@vms.cis.pitt.edu |
| Comments: | |
| Computer System: | SGI O2 |
| Name: | Kridtiyaporn Wongsa |
| Department: | Chemistry Department, U. of Pittsburgh |
| Organisation: | Chemistry REU 1997 |
| E-Mail: | kuitar+@pitt.edu |
| Comments: | guessian output |
| Computer System: | indigoirix |
| Name: | webadmin |
| Department: | Chemistry |
| Organisation: | SKKU(Sung Kyun Kwan Univ.) |
| E-Mail: | webadmin@chem.skku.ac.kr |
| Comments: | Visualize GAMESS outputs. |
| Computer System: | Solaris 2.5.1, Linux(slackware with g77) |
| Name: | H. Hermann |
| Department: | Chemistry |
| Organisation: | Philipps University Marburg |
| E-Mail: | hola@sg1512.chemie.uni-marburg.de |
| Comments: | Use: Visualisation of quantum chemistry results (Gaussian94) |
| Computer System: | SGI Indigo2 / IRIX 6.2 |
| Name: | Christian Silvio Pomelli |
| Department: | Scienze |
| Organisation: | Scuola Normale Superiore |
| E-Mail: | cris@sns.it |
| Comments: | visualizzation of MO from Gaussian, Reaction pathanimations,.. |
| Computer System: | irix |
| Name: | Iraj Daizadeh |
| Department: | Department of Chemistry |
| Organisation: | University of California |
| E-Mail: | daizadeh@indigo.ucdavis.edu |
| Comments: | Display of surfaces and 3-d vector spaces. |
| Computer System: | SGI IRIX6.2 R10000 |
| Name: | David R. Bell |
| Department: | Life Science |
| Organisation: | University of Nottingham |
| E-Mail: | david.bell@nottingham.ac.uk |
| Comments: | 3-d modelling of protein structures |
| Computer System: | OS/2 |
| Name: | diraison |
| Department: | chemistry |
| Organisation: | indiana university |
| E-Mail: | diraison@martyna4.chem.indiana.edu |
| Comments: | |
| Computer System: | sgi |
| Name: | Edward M. Kober |
| Department: | Theoretical Division |
| Organisation: | Los Alamos National Laboratory |
| E-Mail: | emk@lanl.gov |
| Comments: | Assist in the analysis of output from Gaussianand MOPAC |
| Computer System: | SGI |
| Name: | Wladimiro Diaz Villanueva |
| Department: | Departament de Quimica Fisica |
| Organisation: | Univeristat de Valencia |
| E-Mail: | Wladimiro.Diaz@uv.es |
| Comments: | Displaying output from Gaussian94 and Gamess |
| Computer System: | Unix (AIX, IRIX, Linux, etc...) |
| Name: | Dr. Alexander Klinsky |
| Department: | Department of theor. chemistry |
| Organisation: | University of Vienna |
| E-Mail: | alex.klinsky@scientist.com |
| Comments: | |
| Computer System: | Win95/NT, Linux, SGI |
| Name: | Dr. Bjoern K. Alsberg |
| Department: | Institute of Biological Sciences |
| Organisation: | University of Wales |
| E-Mail: | bka@aber.ac.uk |
| Comments: | |
| Computer System: | DEC Alpha |
| Name: | Roberto Slepetys Ferreira |
| Department: | Physical Chemistry |
| Organisation: | University of Sao Paulo |
| E-Mail: | slepetys@quim.iq.usp.br |
| Comments: | I use Molden for prepare the Z matrix to submitto GAUSSIAN, and to visualize the outputs. |
| Computer System: | DEC - Alpha 500 |
| Name: | richard hall |
| Department: | theoretical chemistry |
| Organisation: | university of manchester |
| E-Mail: | r.hall@man.ac.uk |
| Comments: | modification of z-matricesviewing of g94 input and output files |
| Computer System: | HP-UX |
| Name: | HIsao Ishii |
| Department: | CAMD |
| Organisation: | Louisiana State University |
| E-Mail: | ishii@camd.lsu.edu |
| Comments: | Visualization of MO pattern. |
| Computer System: | Windows 95 |
| Name: | Robert Steward |
| Department: | Biochemistry |
| Organisation: | University of Cambridge |
| E-Mail: | robert@cryst.bioc.cam.ac.uk |
| Comments: | Viewing PDB protein structures |
| Computer System: | Linux |
| Name: | Joseph W. Bausch |
| Department: | Chemistry |
| Organisation: | Villanova University |
| E-Mail: | bausch@chem.vill.edu |
| Comments: | Plot normal vibrational modes |
| Computer System: | IBM RS6000 (AIX 3.2.5) |
| Name: | Dr. Michael A. Freitas |
| Department: | Center for Interdisciplinary Magnetic Research |
| Organisation: | National High Magnetic Field Laboratory |
| E-Mail: | freitas@magnet.fsu.edu |
| Comments: | Molden will be used as a GUI for GAMESS |
| Computer System: | Win95/NT |
| Name: | Juan Senosiain |
| Department: | Materials Science & Eng |
| Organisation: | Stanford University |
| E-Mail: | senos@mail.internet.com.mx |
| Comments: | Visualizing geometry ooptimizations made with Gaussian & PSGVB |
| Computer System: | Windows95 |
| Name: | Gavin E Reid |
| Department: | Protein Structure Laboratory |
| Organisation: | Ludwig Institute for Cancer Research |
| E-Mail: | reid@licre.ludwig.edu.au |
| Comments: | Pre and post processing of GAMESS files |
| Computer System: | PC Windows 95 |
| Name: | Fontanesi Claudio |
| Department: | Chemistry |
| Organisation: | Univ. of Modena |
| E-Mail: | fontanes@c220.unimo.it |
| Comments: | MO contour plot visualisation |
| Computer System: | Silicon Graphics |
| Name: | Elena Sineva |
| Department: | Life Sciences |
| Organisation: | Bar Ilan university |
| E-Mail: | sinvae@brosh.cc.biu.ac.il |
| Comments: | Visualization of pdb data files. |
| Computer System: | AIX 3.2 |
| Name: | Maurizio Cossi |
| Department: | Dipartimento di Chimica e Chimica Industriale |
| Organisation: | Universita' di Pisa |
| E-Mail: | cossi@ibm550.icqem.pi.cnr.it |
| Comments: | |
| Computer System: | DEC Alpha |
| Name: | Jiri Dybal |
| Department: | Vinrational and NMR Spectroscopy |
| Organisation: | Inst. of Macromolecular Chemistry, Academy of Sciences |
| E-Mail: | dybal@imc.cas.cz |
| Comments: | |
| Computer System: | |
| Name: | Steve Trohalaki |
| Department: | WL/MLPJ - Laser Hardening Branch |
| Organisation: | Wright Lab, Materials Directorate |
| E-Mail: | trohals@ml.wpafb.af.mil |
| Comments: | well, i at least expect it to work,which it does not on my alpha running windowsNT 4.0. |
| Computer System: | Alpha 250/WindowsNT 4.0 |
| Name: | JAHIMIN ASIK |
| Department: | CHEMISTRY |
| Organisation: | UNIVERSITI SAINS MALAYSIA |
| E-Mail: | HAESLER@TM.NET.MY |
| Comments: | I LIKE TO GET FREE COPY OF MOLDEN SOFTWARE FOR CHEMISTRY STRUCTURE DRAWING |
| Computer System: | |
| Name: | Jose Antonio Paixao |
| Department: | Physics Department |
| Organisation: | Univ. de Coimbra |
| E-Mail: | jap@pollux.fis.uc.pt |
| Comments: | I expect to use MOLDEN to analyse charge density distributions calculated by GAMESS. Congratulations! MOLDEN is a great program! |
| Computer System: | LINUX |
| Name: | rougeau |
| Department: | ST/PR |
| Organisation: | ensta |
| E-Mail: | rougeau@ensta.fr |
| Comments: | education |
| Computer System: | Linux |
| Name: | Kathleen A. Durkin |
| Department: | College of Chemistry |
| Organisation: | Molecular Graphics Facility |
| E-Mail: | kdurkin@cchem.berkeley.edu |
| Comments: | I plan to use this as a tool to interface withoutput from GAMESS (US) and Gaussian. includingvisualization of MO's etc |
| Computer System: | sgi, ibm, dec (alpha, using digital unix) |
| Name: | Gary Kedziora |
| Department: | Chemistry |
| Organisation: | Northwestern University |
| E-Mail: | kedziora@chem.nwu.edu |
| Comments: | Viewing orbitals from Gaussian, etc. |
| Computer System: | SGI,AIX |
| Name: | Dr George Froudakis |
| Department: | Chemistry |
| Organisation: | Univercity of Crete |
| E-Mail: | frudakis@atlas.iesl.forth.gr |
| Comments: | |
| Computer System: | |
| Name: | Dr. Peter Beichert |
| Department: | Air Chemistry |
| Organisation: | Alfred Wegener Institute for Polar and Marine Research |
| E-Mail: | pbeichert@awi-bremerhaven.de |
| Comments: | Visualisation of Gamess (US) calculations,especially vibrational modes |
| Computer System: | OS/2, sun-solaris |
| Name: | Dr. M. Daniel Glossman |
| Department: | Departamento de Ciencias Basicas |
| Organisation: | Universidad Nacional de Lujan |
| E-Mail: | glossman@overnet.com.ar |
| Comments: | Drawing molecular density plots as a result ofGaussian 94 runs |
| Computer System: | Windows NT 4.0 Workstation |
| Name: | Dr. Gottfried Olbrich |
| Department: | |
| Organisation: | Max-Planck-Institut fuer Strahlenchemie |
| E-Mail: | olbrich@mpi-muelheim.mpg.de |
| Comments: | Our interest lies in certain types of transitionmetal complexes. We intend to use MOLDEN for thevisualisation of molecular properties of thesesystems computed with the GAUSSIAN program. |
| Computer System: | DEC Alpha, DEC UNIX |
| Name: | Mauro Andrea |
| Department: | Food Science and Technology Laboratory (University of Bologna) |
| Organisation: | Cremonini |
| E-Mail: | mauro@carbon.foodsci.unibo.it |
| Comments: | I did not try it, yet. I'll tell you.Thanks for giving it free to universities! |
| Computer System: | LINUX |
| Name: | Aguinaldo Robinson de Souza |
| Department: | Quimica |
| Organisation: | Universidade Estadual Paulista |
| E-Mail: | arobinso@bauru.unesp.br |
| Comments: | Scientific Visualization of electron density inmolecules. |
| Computer System: | UNIX |
| Name: | Laszlo Udvardi |
| Department: | Dept. of Theoretical Physiscs |
| Organisation: | TU Budapest |
| E-Mail: | udvardi@phy.bme.hu |
| Comments: | Investigating the results of GAMESS runs, using Z-mat editor,viewing chemical structures,...... |
| Computer System: | HP-UX,Linux |
| Name: | Yoon, C.J. |
| Department: | Dept of Chem |
| Organisation: | The Catholic University of Korea |
| E-Mail: | cjyoon@www.cuk.ac.kr |
| Comments: | |
| Computer System: | SGI and Window NT |
| Name: | Petr Holub |
| Department: | Physical and Theoretical Chemistry |
| Organisation: | Masaryk University |
| E-Mail: | hopet@chemi.muni.cz |
| Comments: | We use it for postprocessing Gaussian 94 outputfiles. |
| Computer System: | Irix 6.3, Linux (RedHat 4.0), Win NT 4.0 |
| Name: | Li Hoi Ming |
| Department: | Biochemistry |
| Organisation: | Hong KOng University of Science & Technology |
| E-Mail: | bc_lhm@stu.ust.hk |
| Comments: | There is some bug of graphic display on Molden3.2 Win95 version |
| Computer System: | Win95 |
| Name: | Peter Sturm |
| Department: | Institute of Physical and Theoretical Chemistry, Prof. Kunz |
| Organisation: | University of Regensburg |
| E-Mail: | Peter.Sturm@chemie.uni-regensburg.de |
| Comments: | Visualization of G94 calculated structures |
| Computer System: | SGI, IRIX6.3 (O2) |
| Name: | Zucheng Li |
| Department: | Chemistry |
| Organisation: | The University of Western Australia |
| E-Mail: | li@crystal.uwa.edu.au |
| Comments: | plot contour maps of charge or spin density of dome simple molecules. |
| Computer System: | dec alpha |
| Name: | Anna Pohl |
| Department: | Dep. of Physics and Measurement Technology |
| Organisation: | |
| E-Mail: | anpoh@ifm.liu.se |
| Comments: | Graphical illustration of molecular orbitals |
| Computer System: | SUN |
| Name: | Gerhard Marini |
| Department: | Theoretical Chemistry |
| Organisation: | University |
| E-Mail: | Gerhard.Marini@uibk.ac.at |
| Comments: | Visualisation of Molecules |
| Computer System: | Linux |
| Name: | Toshio Fujita |
| Department: | Production Technology |
| Organisation: | Showa Denko K.K. |
| E-Mail: | fujita@csd.sdk.co.jp |
| Comments: | Drawing Molecular Orbitals, calculated with Gaussian |
| Computer System: | SGI PowerIndigo2 |
| Name: | Toshio Fujita |
| Department: | Production Technology |
| Organisation: | Showa Denko K.K. |
| E-Mail: | fujita@csd.sdk.co.jp |
| Comments: | Drawing Molecular Orbitals, calculated with Gaussian |
| Computer System: | SGI PowerIndigo2 |
| Name: | Kelterer Anne-Marie |
| Department: | Technical Univerity of Graz |
| Organisation: | Institut fuer Physikal. und Theoret. Chemie |
| E-Mail: | kelterer@fptchsg01.tu-graz.ac.at |
| Comments: | Ball an Stick modeling of GAMESS and GAUSSIAN output and input molecules, ps-printing andincluding in TeX-Files, small memory for the printer |
| Computer System: | SGI IRIX6.2 |
| Name: | Michael M. Dejmek |
| Department: | Asymmetrische Katalyse |
| Organisation: | Max-Planck-Gesellschaft |
| E-Mail: | michael.dejmek@cks1.rz.uni-rostock.de |
| Comments: | pre- and post-processing for ab initio calculations |
| Computer System: | Linux |
| Name: | C. Brian Kellogg |
| Department: | Standard Reference Data and Modelling Group |
| Organisation: | National Institute of Standards and Technology |
| E-Mail: | charles.kellogg@nist.gov |
| Comments: | I will primarily use Molden in order to visualize molecular orbitals, charge densitiesand vibrational frequencies for Gaussian94 and GamesUS outputs. |
| Computer System: | Linux 2.0 |
| Name: | Andrei N. Vedernikov |
| Department: | Chemical Faculty, Dep. Organic Chemistry |
| Organisation: | Kazan State University |
| E-Mail: | ave@ksu.ru |
| Comments: | Plotting molecular models, electron density surfaces,orbital visualisation from GAMESS log files. |
| Computer System: | DOS, Windows95 |
| Name: | Tomaz Tekavec |
| Department: | Physical Chemistry at Department of Chemistry and Biochemistry |
| Organisation: | University of Ljubljana, Faculty of Chemistry and Chemical Technology |
| E-Mail: | tomaz.tekavec@uni-lj.si |
| Comments: | It would be great if Molden could read Aces II output files. |
| Computer System: | HP-UX, AIX |
| Name: | Peter Boyd |
| Department: | Chemistry |
| Organisation: | The University of Auckland |
| E-Mail: | cheboyd@ccu1.auckland.ac.nz |
| Comments: | Visualisation of orbitals/molecular vibrations/monitoring progress of geometry optimizationsin Gaussian |
| Computer System: | SGI/ PC windows NT |
| Name: | john dickinson |
| Department: | physical chemistry |
| Organisation: | oxford university |
| E-Mail: | jad@physchem.ox.ac.uk |
| Comments: | to view gaussian output |
| Computer System: | linux |
| Name: | Stephen Doughty |
| Department: | Pharmaceutical Chemistry |
| Organisation: | University of Bradford |
| E-Mail: | S.W.Doughty@bradford.ac.uk |
| Comments: | Visualisation of MOPAC and GAMESS output. |
| Computer System: | IRIX - Silicon Graphics Octane |
| Name: | Victor M. F. Morais |
| Department: | Departamento de Quimica |
| Organisation: | Instituto de Ciencias Biomedicas Abel Salazar |
| E-Mail: | vmmorais@icbas.up.pt |
| Comments: | It is important for me to have the possibility of post-processing my ab-initio calculations on organicheterocyclic molecules. |
| Computer System: | LINUX |
| Name: | MAURO BARBOSA DE AMORIM |
| Department: | NÚCLEO DE PESQUISAS DE PRODUTOS NATURAIS |
| Organisation: | UNIVERSIDADE FEDERAL DO RIO DE JANEIRO |
| E-Mail: | mbamorim@nppn.ufrj.br |
| Comments: | Analysis and viewing (electron density, vibrational, charge) of calculated (MOPAC, GAUSSIAN)structures of carbohydrates and other organica molecules. |
| Computer System: | RISC/6000 |
| Name: | Brent Krueger |
| Department: | Department of Chemistry |
| Organisation: | University of California, Berkeley |
| E-Mail: | krieg@rainbow.uchicago.edu |
| Comments: | Primarily to view electron and transition densities calculated with Gaussian 94 |
| Computer System: | SGI Irix 6.4 |
| Name: | Kenji Suzuki |
| Department: | Applied of Chemical Physics |
| Organisation: | The University of Electro Cominucations |
| E-Mail: | ken@takeru.pc.uec.ac.jp |
| Comments: | To draw MO from Gaussian and GAMESS Inputfiles. |
| Computer System: | SunOS 5.4 |
| Name: | Christian Lennartz |
| Department: | Theoretical Chemistry |
| Organisation: | University of Bonn |
| E-Mail: | lennartz@pcgate.thch.uni-bonn.de |
| Comments: | Visualisation of mopac and gaussian input and output[structure,MO]. Plotting of orbitals is a little slow? |
| Computer System: | Linux/P133 |
| Name: | Chun-Saeng Lee |
| Department: | Chemistry |
| Organisation: | The University of Auckland |
| E-Mail: | kojika@unforgettable.com |
| Comments: | AM1 calculcations |
| Computer System: | win 3.x/95 |
| Name: | Jian Dong |
| Department: | Dept Biochemistry |
| Organisation: | Case Western Reserve University |
| E-Mail: | jxd27@po.cwru.edu |
| Comments: | analysis of results from Gaussian 94 |
| Computer System: | cvraman |
| Name: | sini |
| Department: | Chimie |
| Organisation: | Universite de Cergy_Pontoise |
| E-Mail: | sini@paris.u-cergy.fr |
| Comments: | visualize MOs, electronic densities, electroctatic potentials and charges |
| Computer System: | HP-UX |
| Name: | Brian Stewart |
| Department: | Chemistry & Chemical Engineering |
| Organisation: | University of Paisley |
| E-Mail: | brian@pasteur.paisley.ac.uk |
| Comments: | Z-matrix editing for inputs to Gamess(UK) and GAMESS(US) and Gaussian.Visualisation of outputs: electron densities, geometry optimizations and normal modes.Hope to use Laplacian visualisation option. |
| Computer System: | DEC-ALPHA AXP3000 OSF1 |
| Name: | Craig Robinson |
| Department: | Aeronautics |
| Organisation: | Imperial College |
| E-Mail: | c.robinson@ic.ac.uk |
| Comments: | Visualisation of GAMESS output. Using forderivation of collision cross sections forgaseous phase collisions |
| Computer System: | HP 7xx |
| Name: | Dr. Hans-Georg Mack |
| Department: | Institute for Physical and Theoretical Chemistry |
| Organisation: | University of Tuebingen |
| E-Mail: | hans-georg.mack@uni-tuebingen.de |
| Comments: | quick visualization of molecular structures and vibrations as obtained by g94! |
| Computer System: | sgi/irix6.2 |
| Name: | Frank Mari |
| Department: | Chemistry And Biochemistry |
| Organisation: | Florida Atlantic University |
| E-Mail: | fmari@acc.fau.edu |
| Comments: | create pdb files for use in xplor |
| Computer System: | n/a |
| Name: | Carlos Gonzalez |
| Department: | Physical and Chemical Properties Division |
| Organisation: | National Institue of Standards and Technology |
| E-Mail: | gonzalez@quantum.nist.gov |
| Comments: | Visualization of molecular properties and geometries |
| Computer System: | |
| Name: | parel serge |
| Department: | Prof. Leumann's group |
| Organisation: | Departement for Chemistry |
| E-Mail: | parel@ubeclu.unibe.ch |
| Comments: | Visualizing and high quality printing from GAMESSand PDB files |
| Computer System: | Indigo2 SGI workstation |
| Name: | Giuseppe Milano |
| Department: | Chemistry |
| Organisation: | Universita' degli Studi di Salerno |
| E-Mail: | pino@pcdidat1.csied.unisa.it |
| Comments: | Molecular Structure and Molecular Orbitals Visualization |
| Computer System: | O2 |
| Name: | Daniel Lawson |
| Department: | Chemistry and Biochemistry |
| Organisation: | Calvin College |
| E-Mail: | dlawson@calvin.edu |
| Comments: | Research and teaching.Interface to G94 and GAMESS |
| Computer System: | AIX, SGI, & Linux |
| Name: | Samuel A. Abrash |
| Department: | James Franck Institute |
| Organisation: | University of Chicago |
| E-Mail: | sabrash@richmond.edu |
| Comments: | Visualize output from MP2 and CIS calculations on Gaussian 94 |
| Computer System: | Silicon Graphics Workstation |
| Name: | Dr Mark Buntine |
| Department: | Department of Chemistry |
| Organisation: | University of Adelaide |
| E-Mail: | mbuntine@chemistry.adelaide.edu.au |
| Comments: | I'm upgrading to MOlden3.2We use it a lot for viewing our Gaussian calcs.Keep up the good work :-) |
| Computer System: | SGI Indigo^2 xZ |
| Name: | Holmann V. Brand |
| Department: | Los Alamos National Laboratory |
| Organisation: | University of California |
| E-Mail: | brand@lanl.gov |
| Comments: | Will verify visually that input coordinates (for gaussian or mopac) are realistic |
| Computer System: | SGI octane |
| Name: | Chen Qiao |
| Department: | IRC in Surface Science |
| Organisation: | Liverpool University |
| E-Mail: | Chen@ssci.liv.ac.uk |
| Comments: | |
| Computer System: | Sun, |
| Name: | Wiktor Tatara |
| Department: | Department of Chemistry |
| Organisation: | Jagiellonian University |
| E-Mail: | tatar@tichy.ch.uj.edu.pl |
| Comments: | Visualization of results from Mopac,Gaussian and Gamess (normal modes and geometry). |
| Computer System: | Linux Xwindows |
| Name: | Shiang-Tai Lin |
| Department: | Chemical Engineering |
| Organisation: | University of Delaware |
| E-Mail: | stlin@udel.edu |
| Comments: | I am doing MCSCF calculation. I will use Moldento view the orbitals in order to choose correctorbitals in the active space. |
| Computer System: | IBM RS6000 |
| Name: | Guelzim Abdelhalim |
| Department: | CNRS URA 801 Physique |
| Organisation: | Universite des Sciences et technologies de Lille |
| E-Mail: | halim.guelzim@univ-lille1.fr |
| Comments: | Dear Doctor,I have seen your Molden program at work on an X-Terminal and I was quite impressed by its ability to visualize quantum chemistry results. As Gamess user, I believe such a tool can help me for my research in NLO properties.I would greatly appreciate your help in getting aregistred copy of the Molden program. Thank you in advance best regards, Guelzim |
| Computer System: | Digital Alpha Server 1000A (4/266) (UNIX DecOSF1) |
| Name: | Karsten Malsch |
| Department: | Inst. fuer Physikalische Chemie |
| Organisation: | Universität zu Köln |
| E-Mail: | karsten.malsch@uni-koeln.de |
| Comments: | Visualization of structures and MOs |
| Computer System: | DEC Alpha |
| Name: | Pertti Kaihovaara |
| Department: | Reseach Unit of Alcohol Diseases |
| Organisation: | University of Helsinki |
| E-Mail: | kaiho@sci.fi |
| Comments: | My hobby is to study reactions of acetaldehyde with biomolecules and to find stable acetaldehydeadducts. I have only basic knowledge of quantum mechanical calculations but, anyway, I need Moldento display Mopac/Gamess output files. |
| Computer System: | Windows 95/NT |
| Name: | Piotr BARTA |
| Department: | Faculty of Physics and Nuclear Techniques |
| Organisation: | University of Mining and Metallurgy |
| E-Mail: | pibar@uci.agh.edu.pl |
| Comments: | work with Mopac and Gaussian output files:calculations on conjugated macromolecules and polymers |
| Computer System: | Windows NT |
| Name: | Dr. Raul Isea |
| Department: | Chemistry Inorganic |
| Organisation: | IVIC - Instituto Investigaciones Cientificas |
| E-Mail: | risea@quimica.ivic.ve |
| Comments: | Laplacian |
| Computer System: | Windowns NT 4.0 |
| Name: | Stefan Schulz |
| Department: | A2 Dynamics of molecular clusters |
| Organisation: | Max Born Institut |
| E-Mail: | sschulz@mbi-berlin.de |
| Comments: | Visualization of GAUSSIAN 94 results |
| Computer System: | HP-UX |
| Name: | Prof. Axel D. Becke |
| Department: | Chemistry |
| Organisation: | Queen's University |
| E-Mail: | beckea@qucdn.queensu.ca |
| Comments: | Will use for undergraduate and graduate teaching in combination with PC GAMESS.An excellent viewer. Thank you VERY much. |
| Computer System: | IBM RS6000 and PC (Windows95) |
| Name: | Bernd Zimmermann |
| Department: | Theoretische Chemie |
| Organisation: | Universitaet Hannover |
| E-Mail: | berni@ws4.theochem.uni-hannover.de |
| Comments: | We will test it ! |
| Computer System: | SGI-IRIX5.3/IRIX6.2 ; IBM AIX3.2/AIX4.1 : HP UX-10 |
| Name: | Pablo Vitoria Garcia |
| Department: | Quimica Inorganica, Facultad de Ciencias |
| Organisation: | Universidad del Pais Vasco (UPV/EHU) |
| E-Mail: | qibvigap@lg.ehu.es |
| Comments: | Visualization of MO and vibrations from G94 output |
| Computer System: | DEC AlphaServer 2100 |
| Name: | Nowak Wieslaw |
| Department: | Physics |
| Organisation: | N.Copernicus University |
| E-Mail: | wiesiek@phys.uni.torun.pl |
| Comments: | visuallisation of G94/DFT results and proteinstructures (pdb, teaching) |
| Computer System: | SGI Indy R5000 |
| Name: | Alexander Likholyot |
| Department: | Earth Sciences |
| Organisation: | ETH (Swiss Federal Institute of Technology) |
| E-Mail: | alik@no.junk.erdw.ethz.ch |
| Comments: | pre- and post processing of Gaussian jobs |
| Computer System: | windows NT |
| Name: | Yuthana Tantirungrotechai |
| Department: | chemistry |
| Organisation: | University of cambridge |
| E-Mail: | yt203@cus.cam.ac.uk |
| Comments: | Laplacian plot & density plot |
| Computer System: | Linux |
| Name: | Thomas SIMONSON |
| Department: | Structural Biology Laboratory |
| Organisation: | Centre National pour la Recherche Scientifique |
| E-Mail: | simonson@igbmc.u-strasbg |
| Comments: | |
| Computer System: | linux, irix |
| Name: | Gilbert Hangartner |
| Department: | Institute of Physical Chemistry |
| Organisation: | University of Fribourg |
| E-Mail: | Gilbert.Hangartner@unifr.ch |
| Comments: | Use it as a convient tools for displaying outputs from QM programs, e.g. GAMES, GAUSSIAN maybe there is even a possibilty to use it with my favorite program DALTON? |
| Computer System: | UNIX-SGI |
| Name: | Dr. Asim K. Debnath |
| Department: | Biochemical Virology Laboratory |
| Organisation: | New York Blood Center |
| E-Mail: | adebnath@server.nybc.org |
| Comments: | We are non-profit organization and your program will be used for research applications. We appreciate your generosity for making this wonderful program available to us. |
| Computer System: | SGI IRIX 6.2 |
| Name: | Ying Zou |
| Department: | Experimental Physics II |
| Organisation: | University Wuerzburg |
| E-Mail: | zou@we2x43.physik.uni-wuerzburg.de |
| Comments: | viewing the electronic densities |
| Computer System: | AIX RS6000 |
| Name: | Andrea Zaliani |
| Department: | Chemistry |
| Organisation: | Italfarmaco Research Center |
| E-Mail: | e028az02@area.ba.cnr.it |
| Comments: | Sketching adn visualization tools |
| Computer System: | SGI R4000 |
| Name: | Chong Hak Chae |
| Department: | Department of Chemistry, College of Natural Sciences, |
| Organisation: | |
| E-Mail: | chchae@plaza1.snu.ac.kr |
| Comments: | for analysis of Ab-Initio calculations |
| Computer System: | SGI Indigo-II with IRIX 5.3 |
| Name: | José Antonio Palenzuela |
| Department: | Departamento de Química Orgánica |
| Organisation: | Universidad de La Laguna |
| E-Mail: | jpalenz@ull.es |
| Comments: | Visualization tool for semiempirical (MOPAC) and "ab initio" (GAMESS-US) calculations |
| Computer System: | Pentium PC runing Windows95 |
| Name: | Paulo E. Abreu |
| Department: | Chemistry |
| Organisation: | University of Coimbra |
| E-Mail: | qtabreu@gemini.ci.uc.pt |
| Comments: | To visualise the output of GAMESS and GAUSSIAN |
| Computer System: | DEC Unix, LinuX |
| Name: | dan harris |
| Department: | |
| Organisation: | molecular research institute |
| E-Mail: | dannil@purisima.molres.org |
| Comments: | gaussian94 ---analysis |
| Computer System: | linux/sgi |
| Name: | dr. Ioan Silaghi-Dumitrescu |
| Department: | Department of Chemistry |
| Organisation: | Babes-Bolyai University |
| E-Mail: | isi@chem.ubbcluj.ro |
| Comments: | Display of Mopac/Gamess results |
| Computer System: | linux/ PC-pentium |
| Name: | MANIVET |
| Department: | Biochemistry and Biophysic |
| Organisation: | Assistance publique, hopitaux de Paris |
| E-Mail: | philippe.manivet@lrb.ap-hop-paris.fr |
| Comments: | |
| Computer System: | silicon graphics irix 6.3 |
| Name: | Genta Sakane |
| Department: | Department of Chemistry |
| Organisation: | Okayama University of Science |
| E-Mail: | gsakane@chem.ous.ac.jp |
| Comments: | |
| Computer System: | HP 730 GRX |
| Name: | Richard E. Brown |
| Department: | Chemistry |
| Organisation: | Michigan Technological University |
| E-Mail: | rebrown@mtu.edu |
| Comments: | To use for analyzing results and setting up input of calculations with gaussian, games and HyperChem. |
| Computer System: | SUN Solaris |
| Name: | MIGUEL RAMIREZ MUÑOZ |
| Department: | INSTITUTO UNIVERSITARIO DE BIO-ORGANICA |
| Organisation: | UNIVERSIDAD DE LA LAGUNA |
| E-Mail: | mramirez@ull.es |
| Comments: | With the ab-initio package GAMESS-US in Window-95 |
| Computer System: | |
| Name: | Dr David J. Willock |
| Department: | Chemistry |
| Organisation: | University of Wales, Cardiff |
| E-Mail: | WillockDJ@cardiff.ac.uk |
| Comments: | Display of Molecular orbitals from GAMESS outputs. |
| Computer System: | SGI IndigoII |
| Name: | Juan Omar Machuca-Herrera |
| Department: | Química Inorgânica -Instituto de Química |
| Organisation: | Universidade Federal do Rio de Janeiro |
| E-Mail: | omar@iq.ufrj.br |
| Comments: | I would like use Molden toghether with Gamess-USA for studies on Inorganic an Organo Metalic compounds |
| Computer System: | Unix-PC FreeBSD and IBM RS6000 |
| Name: | Dr. Rochus Schmid |
| Department: | Chem |
| Organisation: | University of Calgary |
| E-Mail: | rschmid@chem.ucalgary.ca |
| Comments: | building and viewing structures for ADF calculations (BTW a method to visulaize ADF orbs and densities would be neat!) |
| Computer System: | linux |
| Name: | Andrus Metsala |
| Department: | Bioorganic Chemistry |
| Organisation: | Institute of Chemistry |
| E-Mail: | andrus@boc.ic.ee |
| Comments: | Gaussian and Mopac output files. |
| Computer System: | Windows NT |
| Name: | Paul Ecker |
| Department: | Labo. d'Analyse des Materiaux |
| Organisation: | Centre de Recherche Public - Centre Universitaire |
| E-Mail: | ecker@crpcu.lu |
| Comments: | I study the formation of ions in secondary ion mass spectrometry. Molden hopefully helps me to appreciate results produced with Gamess and Mopac. Some good-looking graphs in my PhD work may be helpful for the reader too. |
| Computer System: | Cray CS6400, a 100% SUN compatible SPARC computer running under Solaris 2.4 |
| Name: | PLEKCHANOV E. A |
| Department: | AEROMECHANICS AND FLIGHT ENGENIRING |
| Organisation: | MIPT |
| E-Mail: | |
| Comments: | VISUALIZING OF MY COMPUTATIONS |
| Computer System: | |
| Name: | Joao C.P.P. Brandao |
| Department: | Chemistry |
| Organisation: | UCEH - Universidade do Algarve |
| E-Mail: | jbrandao@ualg.pt |
| Comments: | Look for the orbitals generated by GAMESS |
| Computer System: | pc-Linux |
| Name: | KHARROUBI Mohamed |
| Department: | Chemistry |
| Organisation: | Ecole Nationale Superieure de Chimie de Montpellier |
| E-Mail: | kharroub@cit.enscm.fr |
| Comments: | |
| Computer System: | |
| Name: | Yannis G. Lazarou |
| Department: | Chemistry |
| Organisation: | University of Crete |
| E-Mail: | LAZAROU@TALOS.CC.UCH.GR |
| Comments: | Visualize Molecular Orbitals and Electron Density from ab-initio calculations on small organic species by using GAMESS and GAUSSIAN 94 in the near future. |
| Computer System: | OpenVMS, DEC OSF 1 |
| Name: | Wai-To Chan |
| Department: | Chemistry |
| Organisation: | York University |
| E-Mail: | chan@gkcl.yorku.ca |
| Comments: | Topological analysis of Bader Laplacian, one-electron potential (aka negative one-electron kinetic energy) and ELF |
| Computer System: | SUN Solaris |
| Name: | Dr. Vladimir Kharlanov |
| Department: | Institute of Phys. and Theor. Chemistry |
| Organisation: | Humboldt University of Berlin |
| E-Mail: | vlad@asterix.chemie.hu-berlin.de |
| Comments: | |
| Computer System: | Windows 95/NT |
| Name: | Greg Rechtsteiner |
| Department: | Chemistry |
| Organisation: | Northwestern University |
| E-Mail: | g-recht@chem.nwu.edu |
| Comments: | To visualize vibrations from Gaussian 94 calculations. |
| Computer System: | NT / Linux |
| Name: | Nicolai Lehnert |
| Department: | Universitaet Mainz |
| Organisation: | Institut fuer Anorganische und Analytische Chemie |
| E-Mail: | nicolai@dacmza.chemie.uni-mainz.de |
| Comments: | Animation of vibrations and geometry optimizations Visualization of orbitals and electron densities |
| Computer System: | linux/unix |
| Name: | Dr. David Gregory |
| Department: | CRC Biomolecular Structure Unit |
| Organisation: | Institute of Cancer Research |
| E-Mail: | D.Gregory@icr.ac.uk |
| Comments: | To gain information on the nature of protein/ligand interactions, necessary for successful anti-cancer drug design. |
| Computer System: | SGI, OpenVMS |
| Name: | Jess B. Sturgeon |
| Department: | Chemistry |
| Organisation: | University of Kansas |
| E-Mail: | jess@ale.chem.ukans.edu |
| Comments: | To try and visualize the systems we model. We are looking for structure in solids and liquids. |
| Computer System: | AIX |
| Name: | Feng XUE |
| Department: | Department of Chemistry |
| Organisation: | The Chinese University of Hong Kong |
| E-Mail: | fengxue@cuhk.edu.hk |
| Comments: | It would be better if it can support more input formats. |
| Computer System: | SGI IRIX 5.3/6.2 |
| Name: | Mark Fox |
| Department: | Chemistry Department |
| Organisation: | University of Durham |
| E-Mail: | m.a.fox@durham.ac.uk |
| Comments: | Would like to look at molecular orbitals of optimized geometries from GAMESS-UK or -US output files |
| Computer System: | Linux Slackware |
| Name: | Adriano Martinelli |
| Department: | Dipartimento di Scienze Farmaceutiche |
| Organisation: | Universita' di Pisa |
| E-Mail: | marti@farm.unipi.it |
| Comments: | Visualization and analysis of Gaussian94 results |
| Computer System: | SGI-O2 |
| Name: | Mehmet KABAK |
| Department: | Physics Engineering |
| Organisation: | Ankara University, Faculty of Sciences |
| E-Mail: | kabak@science.ankara.edu.tr |
| Comments: | Plot molecular orbitals, electron densities |
| Computer System: | Windows-NT |
| Name: | Gerry Lushington |
| Department: | |
| Organisation: | Ohio Supercomputer Center |
| E-Mail: | gerald@osc.edu |
| Comments: | research |
| Computer System: | IRIX6.4 |
| Name: | Raul Cetina Rosado |
| Department: | Quimica Teorica, Fisicoquimica |
| Organisation: | Instituto de Quimica, Universidad Nacional Autonoma de Mexico |
| E-Mail: | fjimenez@servidor.unam.mx |
| Comments: | For investigation in the behavior of molecular orbitals in reaction mechanism. |
| Computer System: | INDY |
| Name: | Hidenori MATSUZAWA |
| Department: | Department of Chemistry |
| Organisation: | Chiba Institute of Technology |
| E-Mail: | matuzawa@cc.it-chiba.ac.jp |
| Comments: | Visualization of Gaussian 94 output |
| Computer System: | HP 715/100XC |
| Name: | R.B.SUNOJ |
| Department: | DEPARTMENT OF ORGANIC CHEMISTRY |
| Organisation: | INDIAN INSTITUTE OF SCIENCE, BANGALORE |
| E-Mail: | srb@orgchem.iisc.ernet.in |
| Comments: | I am a research student in computational chemistry group,department of organic chemistry. As my work is centered around the structural and energetic aspects, this may proove very useful for me. I would appreciate future correspondence with you and your organization. with thanks. |
| Computer System: | unix(aix) |
| Name: | Arleen M. Robles |
| Department: | Drug & Alcohol |
| Organisation: | American Indian Health & Services |
| E-Mail: | idcret@aol.com |
| Comments: | working towards physician assistant school and am a college student who also works at a Native American Health & Services center. I work in the drug and Alcohol department as a Program Assistant. I work with adults and youth. I want to better understand the chemistry and because of my learning disability I try to use any and all the help I can get. |
| Computer System: | |
| Name: | Pal Csaszar |
| Department: | Chemistry |
| Organisation: | University of Toronto |
| E-Mail: | pcsaszar@alchemy.chem.utoronto.ca |
| Comments: | analysis of Gaussian and Mopac outputs. |
| Computer System: | SGI, PC |
| Name: | Gyorgy Lendvay |
| Department: | Central Research Institute for Chemistry |
| Organisation: | Hungarian Academy of Sciences |
| E-Mail: | lendvay@cric.chemres.hu |
| Comments: | Visualization of geometries calculated by G94 in our studies of elementary gas-phase chemical reactions important in the atmosphere |
| Computer System: | IBM RS/6000 |
| Name: | Dr. Ralf Koeppe |
| Department: | Insitut fuer Anorganische Chemie |
| Organisation: | Universitaet Karlsruhe (TH) |
| E-Mail: | koeppe@achpc9.chemie.uni-karlsruhe.de |
| Comments: | Ab initio calculations (turbomole/gaussian) are performed in order to confirm experimentally deduced results (ir-, raman- spectroscopy of highly reactive species; cryo chemistry in a preparative scale). Expected use: visualisation of structures and animation of vibrational modes. MO plots to gain a better insight into chemical bonding of small molecules. |
| Computer System: | aix, irix, linux |
| Name: | Ernie McGoran |
| Department: | Chemistry/Biochemistry |
| Organisation: | Eastern WA U |
| E-Mail: | emcgoran@ewu.edu |
| Comments: | Viewing Gaussian 94, AMSOL 6.1 input/output files. |
| Computer System: | RS6000/ AIX4.2.1 |
| Name: | Dr. Holger Busse |
| Department: | FB Chemie |
| Organisation: | Freie Universität Berlin |
| E-Mail: | busse@fu-berlin.de |
| Comments: | visualizing Gaussian result |
| Computer System: | Linux, HP, SGI |
| Name: | Alberto Vela |
| Department: | Chemistry |
| Organisation: | Universidad Autonoma Metropolitana - Iztapalapa |
| E-Mail: | ava@xanum.uam.mx |
| Comments: | To interface it with deMon and Gaussian |
| Computer System: | WINDOWS |
| Name: | VICTOR GUALLAR |
| Department: | CHEMISTRY |
| Organisation: | UNIVERSITY OF CALIFORNIA,BERKELEY |
| E-Mail: | victor@neon.cchem.berkeley.edu |
| Comments: | Analisis of mainly gaussian94 an other abinitio and semiempiricals programns results. |
| Computer System: | RS6000, AIX2.3 UNIX |
| Name: | Xabier Lopez |
| Department: | Laboratoire de Chimie Biophisique |
| Organisation: | ILB-Universite Louis Pasteur |
| E-Mail: | lopez@brel.u-strasbg.fr |
| Comments: | Annalyze ouputs of GAMESS (Orbitals, Vibrational frequencies) |
| Computer System: | HP-UX |
| Name: | Francesco lelj |
| Department: | Chemistry |
| Organisation: | Università della Basilicata |
| E-Mail: | lelj@unibas.it |
| Comments: | DFT and ab intio calculation on metal complexes in Nitrogen fixation DFT calculation on porphyrin like molecules an thai complexes. Solvation effects on chemical reactivity |
| Computer System: | W95, OSF/1, DEC Unix, AIX 4.0 |
| Name: | Per-Ola Norrby |
| Department: | Department of Medicinal Chemistry |
| Organisation: | Royal Danish School of Pharmacy |
| E-Mail: | peon@medchem.dfh.dk |
| Comments: | Gaussian94 if possible AMSOL |
| Computer System: | SGI, Irix 6.2-6.4 |
| Name: | Jason A. Marshall |
| Department: | WSU Chemistry Department |
| Organisation: | Spec. Lab |
| E-Mail: | jmarshal@wsunix.wsu.edu |
| Comments: | Using Molden to view Gaussian output from calculations on transition metal complexes. |
| Computer System: | Linux |
| Name: | Derek Feichtinger |
| Department: | Organic Chemistry |
| Organisation: | ETH Zurich |
| E-Mail: | feichtinger@org.chem.ethz.ch |
| Comments: | |
| Computer System: | aix/dec/irix |
| Name: | Giuseppe Ermondi |
| Department: | Dipartimento di Scienza e Tecnologia del Farmaco |
| Organisation: | Universita' di Torino - Facolta' di Farmacia |
| E-Mail: | ermondi@pharm.unito.it |
| Comments: | I expect an interface to gaussian |
| Computer System: | IRIX5.3 LINUX2.0.30 |
| Name: | Jens Mueller |
| Department: | Institut fuer Anorganische Chemie |
| Organisation: | RWTH Aachen |
| E-Mail: | Jens.Mueller@ac.rwth-aachen.de |
| Comments: | Display of MO's from GAUSSIAN outputs |
| Computer System: | PC (Win95) |
| Name: | Oosterbaan, W.D. |
| Department: | Fysisch-Organische Chemie |
| Organisation: | Universiteit Utrecht |
| E-Mail: | W.D.Oosterbaan@chem.ruu.nl |
| Comments: | display of electron density maps/orbital plots viewing of IR vibrations use in combination with MOPAC |
| Computer System: | Linux |
| Name: | James England |
| Department: | Chemistry |
| Organisation: | University of Surrey |
| E-Mail: | jae@dirac.chem.surrey.ac.uk |
| Comments: | Viewing electronic structure of molecules calculated with GAMESS UK and GAUSSIAN 94 |
| Computer System: | SGI Indy R4600 (IRIX 5.3) |
| Name: | Dr. Telesca Rosanna |
| Department: | Dipartimento di Chimica (Chemistry department) |
| Organisation: | Universita' degli Studi della Basilicata |
| E-Mail: | telesca@anassagora.unibas.it |
| Comments: | Graphics, visualizing Gaussian output files and building Gaussian input files (Z-matrix and others) |
| Computer System: | AlphaStation (Digital) |
| Name: | Paul G. Wenthold |
| Department: | Chemistry and Biochemistry |
| Organisation: | Texas Tech University |
| E-Mail: | qepgw@ttacs.ttu.edu |
| Comments: | with Gaussian94 |
| Computer System: | WinNT |
| Name: | Turner |
| Department: | |
| Organisation: | OCI University of Zurich |
| E-Mail: | turner@ocisgi28.unizh.ch |
| Comments: | Monitering optimisations and vibrations |
| Computer System: | SGI O2 - irix 6.3 |
| Name: | Dan Harris |
| Department: | |
| Organisation: | Molecular Research Institute |
| E-Mail: | dannil@purisima.molres.org |
| Comments: | Graphical Analysis of G94/Gamess output for iron containing systems as well as model studies. Thank you for sharing your creativity with the Non-profit research community. |
| Computer System: | Linux/Intel Pentium II/ Perhaps SGI as well... |
| Name: | Marcel Nooijen |
| Department: | Chemistry |
| Organisation: | Princeton University |
| E-Mail: | nooijen@princeton.edu |
| Comments: | Use in my research group. Used in course on computational chemistry. Interface with Gaussian. |
| Computer System: | IBM RS6000, SGI IP_22 |
| Name: | charwel |
| Department: | chemistry |
| Organisation: | louisiana state univeristy |
| E-Mail: | charwel@chrs1.chem.lsu.edu |
| Comments: | plot e denisty from gamess |
| Computer System: | linux redhat4.2, IBM RS6k AIX 4 |
| Name: | Robert Squires |
| Department: | Chemistry |
| Organisation: | Purdue University |
| E-Mail: | bob@glow.chem.purdue.edu |
| Comments: | We would like to visualize the molecular orbitals and electron density output from Gaussian94 and MOPAC computations. |
| Computer System: | Windows 95 |
| Name: | Ruslan O. Petrukhin |
| Department: | Computational Chemistry lab. |
| Organisation: | UUCT |
| E-Mail: | ruslan@petruhin.dp.ua |
| Comments: | Display MO that generated by GAMESS |
| Computer System: | ppc-linux |
| Name: | Lingao Zhang |
| Department: | Materials Science Program |
| Organisation: | Washington State University |
| E-Mail: | lg_zhang@wsunix.wsu.edu |
| Comments: | |
| Computer System: | Unix Silicon Graphics |
| Name: | Dr. Victor Ryaboy |
| Department: | Chemistry |
| Organisation: | Technion - Israel Institute of Technology |
| E-Mail: | chr05vr@aluf.technion.ac.il |
| Comments: | |
| Computer System: | Digital Unix |
| Name: | Dr Ian Cooper |
| Department: | Chemistry |
| Organisation: | University of Newcastle upon Tyne |
| E-Mail: | ian.cooper@newcastle.ac.uk |
| Comments: | Teaching quantum chemistry to undergraduates using visualization aspects. |
| Computer System: | Sun |
| Name: | Raul Perusquia |
| Department: | Departamento de Fisica y Quimica Teorica |
| Organisation: | UNAM |
| E-Mail: | rulox@eros.pquim.unam.mx |
| Comments: | visualization of calculations from GAMESS |
| Computer System: | linux |
| Name: | Timm Lankau |
| Department: | Physikalische Chemie |
| Organisation: | Universitart Hamburg |
| E-Mail: | lankau@chemie.uni-hamburg.de |
| Comments: | Analysing quantum chemical outputs |
| Computer System: | IBM Power PC / AIX 4.2 |
| Name: | Marc Drouin |
| Department: | Chemistry |
| Organisation: | Universite de Sherbrooke |
| E-Mail: | mdrouin@courrier.usherb.ca |
| Comments: | Molden is used to display orbitals from GAMESS and MOPAC outputs |
| Computer System: | LINUX & WIN_NT |
| Name: | Ramchandra Watwe |
| Department: | Chemical Engineering |
| Organisation: | University of Wisconsin-Madison |
| E-Mail: | watwe@cae.wisc.edu |
| Comments: | |
| Computer System: | dec-ALPHA |
| Name: | Manuel Marquez |
| Department: | Chemistry |
| Organisation: | University of Connecticut |
| E-Mail: | mmsammy@aol.com |
| Comments: | visualization |
| Computer System: | Gaussian |
| Name: | Jakob W. Risch |
| Department: | Rechenzentrum |
| Organisation: | RWTH Aachen |
| E-Mail: | risch@rz.rwth-aachen.de |
| Comments: | Installation on a Workstation-Cluster on demmand. -- VRML Sounds very interesting. Compiling worked out fine on IRIX and AIX. HP-UX and Solaris comming soon. |
| Computer System: | IRIX,AIX,HP-UX,Solaris |
| Name: | carlo adamo |
| Department: | department of chemistry |
| Organisation: | university of napoli "Federico II" |
| E-Mail: | adamo@chemna.dichi.unina.it |
| Comments: | Analysis of Gaussian outputs |
| Computer System: | IBM/risc66, DEC/Alpha |
| Name: | Joseph Kim/W. Carl Lineberger |
| Department: | JILA |
| Organisation: | University of Colorado |
| E-Mail: | jkim@jilau1.colorado.edu |
| Comments: | Visualizing Gaussian 94 output. |
| Computer System: | PC/Windows NT |
| Name: | Theresa Windus |
| Department: | Ohio State University |
| Organisation: | Ohio Supercomputer Center |
| E-Mail: | windus@osc.edu |
| Comments: | Visualization of frequencies |
| Computer System: | SGI |
| Name: | In-Ja Lee |
| Department: | Chemistry |
| Organisation: | Dongguk University |
| E-Mail: | lij@mail.dongguk.ac.kr |
| Comments: | To draw the molecular structure by using the GAMESS output. |
| Computer System: | |
| Name: | Rinaldo Poli |
| Department: | Chemistry/LSEO |
| Organisation: | Universite' de Bourgogne |
| E-Mail: | poli@u-bourgogne.fr |
| Comments: | Interface with gaussian94 outputs. I am particularly interested in analyzing the MO's and generating relevant outputs for open-shell systems. I hope this program can do that! |
| Computer System: | SGI |
| Name: | Fabrice Leclerc |
| Department: | Departement of Chemistry |
| Organisation: | Harvard University |
| E-Mail: | leclerc@tammy.harvard.edu |
| Comments: | read gaussian ouput |
| Computer System: | SGI |
| Name: | Norihito Ohmori |
| Department: | Physical Chemistry |
| Organisation: | Chiba University |
| E-Mail: | ohmori@p.chiba-u.ac.jp |
| Comments: | Visualization of results of Gaussian94 |
| Computer System: | DEC Alpha |
| Name: | Derek Higgins |
| Department: | Computing Service |
| Organisation: | University of Glasgow |
| E-Mail: | derek@udcf.gla.ac.uk |
| Comments: | Graphical visualisation of output from GAMESS |
| Computer System: | SUN/Solaris |
| Name: | Lars G.M. Pettersson |
| Department: | Quantum Chemistry/Dept of Physics |
| Organisation: | Stockholm University |
| E-Mail: | LGM@PHYSTO.SE |
| Comments: | Teaching purposes analyzing Gaussian output during lecture sessions |
| Computer System: | Windows 95/NT |
| Name: | Till Kuehn |
| Department: | organic chemistry |
| Organisation: | Universitaet Frankfurt a.M |
| E-Mail: | tk@org.chemie.uni-frankfurt.de |
| Comments: | Visualization of Gaussian outputs |
| Computer System: | IRIX / LINUX |
| Name: | |
| Department: | Phycal chemistry University of malaga |
| Organisation: | |
| E-Mail: | soto@sci.uma.es |
| Comments: | PLot if molecular orbitals obtained from Gaussian and Mopac |
| Computer System: | VMS |
| Name: | Phillip Sinclair |
| Department: | Inorganic Chemistry and Catalysis |
| Organisation: | Technical University of Eindhoven |
| E-Mail: | tgakps@chem.tue.nl |
| Comments: | displaying g94 output files and possibly incorporating them into windows applications. |
| Computer System: | unix |
| Name: | Tadeusz Kulinski |
| Department: | |
| Organisation: | Institute of Bioorganic Chemistry, Polish Academy of Sciences |
| E-Mail: | tadkul@ibch.poznan.pl |
| Comments: | |
| Computer System: | windows95 |
| Name: | George Parks |
| Department: | Corporate Technology |
| Organisation: | Phillips Petroleum Company |
| E-Mail: | gdp@ppco.com |
| Comments: | Visualization of Gaussian structures on PC |
| Computer System: | Windows |
| Name: | Martin J. Field |
| Department: | Laboratoire de Dynamique Moleculaire |
| Organisation: | Institut de Biologie Structurale J. P. Ebel |
| E-Mail: | mjfield@ibs.fr |
| Comments: | Visualization of MOPAC output |
| Computer System: | HP-UX |
| Name: | José M. Saá |
| Department: | Quimica |
| Organisation: | Universidad de las Islas Baleares |
| E-Mail: | saa@gauss.uib.es |
| Comments: | Gaussian94 calculations Mopac calculations Ampac calculations |
| Computer System: | DEC 3700 Digital |
| Name: | M. deVos |
| Department: | |
| Organisation: | |
| E-Mail: | m.vos@chem.leidenuniv.nl |
| Comments: | |
| Computer System: | Microsoft |
| Name: | Lee, Chang Hoon |
| Department: | Pharmacology |
| Organisation: | Pacific R&D |
| E-Mail: | lch65@yahoo.com |
| Comments: | I want to connection with MOPAC |
| Computer System: | win95 |
| Name: | ALFONSO |
| Department: | CIENCIAS |
| Organisation: | INSTITUTO DE ENSEÑANZA SECUNDARIA |
| E-Mail: | |
| Comments: | |
| Computer System: | PC PENTIUM |
| Name: | Jeremy Dombroski |
| Department: | Sales and Marketing |
| Organisation: | Q-Chem, Inc. |
| E-Mail: | jack@q-chem.com |
| Comments: | Evaluation for recommendation to customers |
| Computer System: | AIX |
| Name: | Matthew Sykes |
| Department: | Chemistry |
| Organisation: | Flinders University of South Australia |
| E-Mail: | Matthew.Sykes@flinders.edu.au |
| Comments: | Electron density plots of MO's (and related) |
| Computer System: | SILICON GRAPHICS (IRIX) |
| Name: | Ricardo L. Longo |
| Department: | Departamento de Quimica Fundamental |
| Organisation: | Universidade Federal de Pernambuco |
| E-Mail: | longo@npd.ufpe.br |
| Comments: | Generate plots and figures of electronic density and reaction profiles under Gamess and Mopac93. |
| Computer System: | ibm/6000-AIX-3.2 and SUN-UltraSpark1-Solaris2.5 |
| Name: | Jay W. Ponder |
| Department: | Biochemistry and Molecular Biophysics |
| Organisation: | Washington University School of Medicine |
| E-Mail: | ponder@dasher.wustl.edu |
| Comments: | viewing electron density from GAMESS-US |
| Computer System: | DEC Alpha OSF, SGI, Linux Intel, Linux Alpha |
| Name: | Dariusz Pogocki |
| Department: | Radiation Chemistry |
| Organisation: | Institute of Nuclear Chemistry and Technology |
| E-Mail: | pogo@orange.ichtj.waw.pl |
| Comments: | |
| Computer System: | Windows'95/NT |
| Name: | Maria Gabriella Severin |
| Department: | Dipartimento di Chimica Fisica |
| Organisation: | Universita` di Padova |
| E-Mail: | severin@pdchfi.chfi.unipd.it |
| Comments: | As an editor for z-matrix. Visualisation of outputs from MOPAC, Gamess-US, etc... |
| Computer System: | Pentium 200M - Linux |
| Name: | Hiroyoshi Nagae |
| Department: | |
| Organisation: | Kobe City University of Foreign Studies |
| E-Mail: | nagae@inst.kobe-cufs.ac.jp |
| Comments: | |
| Computer System: | Linux |
| Name: | Lefkidis George |
| Department: | Dept. of Applied and Theoretical Chemistry |
| Organisation: | Aristotle University of Thessaloniki |
| E-Mail: | lefkidis@chem.auth.gr |
| Comments: | I use MOLDEN to mainly describe Gaussian as well as MOPAC output. I first use MM2 to achieve an acceptable geometry and then run either PM3 or HF/STO-3G (I run very big molecules) Most of the times I just need the HOMO-LUMO set and/or a Density Plot. Occasionaly I use it to determine what type of vibration a certain frequency represents. |
| Computer System: | Linux |
| Name: | Manfred Keller |
| Department: | Inst. f. Org. Chemie u. Biochemie |
| Organisation: | Universitaet Freiburg |
| E-Mail: | keller@ocd.chemie.uni-freiburg.de |
| Comments: | Visualization fo Gaussian output |
| Computer System: | SGI |
| Name: | Conrad Newton |
| Department: | Department of Mathematical Physics |
| Organisation: | Lund University |
| E-Mail: | newton@matfys.lth.se |
| Comments: | To view molecular vibrations from a Gaussian output file. |
| Computer System: | DEC Alpha (UNIX Workstation) |
| Name: | N.Haggett |
| Department: | Chemistry |
| Organisation: | University of Surrey |
| E-Mail: | chp1nh@surrey.ac.uk |
| Comments: | Make quality images, view Gaussian output |
| Computer System: | UNIX |
| Name: | David DE VITO |
| Department: | Physical Chemistry Department |
| Organisation: | University of Geneva |
| E-Mail: | david.devito@chiphy.unige.ch |
| Comments: | Visualisation of my GAUSSIAN outputs. |
| Computer System: | UNIX, Windows 95, Windows NT |
| Name: | Pawel Rempala |
| Department: | Chemistry |
| Organisation: | University of Nevada, Reno |
| E-Mail: | rempala@chem.unr.edu |
| Comments: | Interface to Gaussian94 |
| Computer System: | IRIX |
| Name: | Ienco Andrea |
| Department: | ISSECC |
| Organisation: | CNR |
| E-Mail: | ienco@cacao.issecc.fi.cnr.it |
| Comments: | a tool for interpretation ab-initio calculation |
| Computer System: | DEC Alpha |
| Name: | Krzysztof Radacki |
| Department: | Anorganische Chemie |
| Organisation: | RWTH Aachen |
| E-Mail: | krys.radacki@ac.rwth-aachen.de |
| Comments: | grpahic interface for Gaussian (we have bought GaussView but who said that it must be the best ;) |
| Computer System: | pc-linux |
| Name: | André Roidrigue |
| Department: | chimie |
| Organisation: | Universite d'Ottawa |
| E-Mail: | rodrigueandre@videotron.ca |
| Comments: | with gamess et mopac |
| Computer System: | windows 95, pentium |
| Name: | MAUREL |
| Department: | |
| Organisation: | ITODYS |
| E-Mail: | maurel@calypso.itodys.jussieu.fr |
| Comments: | |
| Computer System: | Windows or Silicon Graphics |
| Name: | Dr. Frank Rebentrost |
| Department: | |
| Organisation: | MPI Quantenoptik |
| E-Mail: | far@mpq.mpg.de |
| Comments: | plot electron densities of molecules |
| Computer System: | |
| Name: | Elio Cecchetto |
| Department: | LRMP |
| Organisation: | University of Pau |
| E-Mail: | elio.cecchetto@univ-pau.fr |
| Comments: | creating files for webpages |
| Computer System: | unix |
| Name: | Pawel Kedzierski |
| Department: | Institute of Physical and Theoretical Chemistry |
| Organisation: | Wroclaw University of Technology |
| E-Mail: | P.Kedzierski@pkmk486.ch.pwr.wroc.pl |
| Comments: | Processing inputs for and results from Gaussian. Making nice pictures. Calculating electrostatic potentials. |
| Computer System: | Linux, IRIX |
| Name: | evgeny plekhanoff |
| Department: | Department of Aeromechanics and Flight Engeneering |
| Organisation: | Moscow Institute of Phisics and Technology |
| E-Mail: | eugene@deep.falt.ru |
| Comments: | |
| Computer System: | alpha-server 400 4/233 |
| Name: | Hisao Takeuchi |
| Department: | Yokohama Research Center / Materials Science & Engineering Laboratory |
| Organisation: | Mitsubishi Chemical Corporation |
| E-Mail: | take@rc.m-kagaku.co.jp |
| Comments: | Visualization of MO calculations Great Software !! |
| Computer System: | DEC Alpha / Digital Unix |
| Name: | Snjezana Pecur |
| Department: | FK, LKKAK |
| Organisation: | Institute Rudjer Boskovic |
| E-Mail: | snjezana@joker.irb.hr |
| Comments: | |
| Computer System: | Linux |
| Name: | illien |
| Department: | Chemistry |
| Organisation: | University of Nantes |
| E-Mail: | illien@chimie.univ-nantes.fr |
| Comments: | front of gaussian |
| Computer System: | SGI-indy |
| Name: | Bryan Kim |
| Department: | Chemical Engineering |
| Organisation: | State University of New York at Buffalo |
| E-Mail: | bhkim@eng.buffalo.edu |
| Comments: | I expect to view gaussian and gamess files and animate vibrational modes. Initially, the software will be installed on my personal Linux machine, and I will recommend the installation for the university Sun/SGI clusters for use by all the quantum chemistry people if I like it. |
| Computer System: | Linux |
| Name: | Victor Polo |
| Department: | Quimica Fisica |
| Organisation: | Universidad de Zaragoza |
| E-Mail: | 317837@docto.unizar.es |
| Comments: | |
| Computer System: | Linux |
| Name: | Prof R Guy Woolley |
| Department: | Chemistry & Physics |
| Organisation: | Nottingham Trent University |
| E-Mail: | rgw@maths.ntu.ac.uk |
| Comments: | I am a user of Gaussian94; my interest is in ab initio calculations but my colleagues in Organic Chemistry are interested in calculations on large molecules and hope I can help them with semi-empirical calculations (mndo,am1 etc); a graphical visualization package is essential for them! |
| Computer System: | SUN workstation |
| Name: | Kowal Marek |
| Department: | Teoretical and Phisical Chemistry |
| Organisation: | University of Technology in Wroclaw (Breslau) |
| E-Mail: | kowal@anest.am.wroc.pl |
| Comments: | It's a great program, THANKS a LOT !!! However there is a little thing I'd like to see in one of next versions of Molden - it is a more friendly (simple) chem-editor (mouse driven) |
| Computer System: | Linux (ver. 2.0.30) |
| Name: | Frank Broda |
| Department: | Biochemie |
| Organisation: | Martin-Luther-Universitaet Halle |
| E-Mail: | Broda@biochemtech.uni-halle.de |
| Comments: | Displaying molecules & orbitals |
| Computer System: | Linux |
| Name: | Arthur H. Edwards |
| Department: | Department of Electrical Engineering |
| Organisation: | University of North Carolina at Charlotte |
| E-Mail: | edwards@uncc.edu |
| Comments: | Display of greometry and electronic structure of defects in insulators and semiconductors. |
| Computer System: | Linux |
| Name: | Željko Debeljak |
| Department: | Dept. of Pharmaceutical Chemistry |
| Organisation: | Faculty of Pharmacy and Biochemistry, Un. of Zagreb |
| E-Mail: | zeljko@nana.pharma.hr |
| Comments: | Gaussian Input - file creation & Output - file Analysis |
| Computer System: | Win NT |
| Name: | Michal Husak |
| Department: | Department of Solid State Chemistry |
| Organisation: | VSCHT Praha |
| E-Mail: | husakm@vscht.cz |
| Comments: | Simulation of charge an el. densities in drug molecules. |
| Computer System: | IRIX 6.2 WIN 95 |
| Name: | Jose' Richard Baptista Gomes |
| Department: | Chemistry |
| Organisation: | Faculty of Sciences - University of Porto |
| E-Mail: | jrgomes@fc.up.pt |
| Comments: | See results of gamess and gaussian. |
| Computer System: | SGI |
| Name: | Wang Ro Lee |
| Department: | Dept. of Chem. Eng. |
| Organisation: | Iri National College of A&T |
| E-Mail: | wrlee@mahan.iri-c.ac.kr |
| Comments: | Molecular Structure & Electron Density |
| Computer System: | SGI O2 Workstation |
| Name: | Joan Cano Boquera |
| Department: | Laboratoire de Chimie Inorganique |
| Organisation: | Universite Paris-Sud and CNRS |
| E-Mail: | jocano@icmo.u-psud.fr |
| Comments: | To display molecular density and geometry from de gaussian files |
| Computer System: | linux |
| Name: | Dr. Raul Crespo |
| Department: | Quimica Fisica |
| Organisation: | Universitat de Valencia |
| E-Mail: | Raul.Crespo@uv.es |
| Comments: | |
| Computer System: | SGI |
| Name: | Deepak Singh |
| Department: | Chemistry |
| Organisation: | Syracuse University |
| E-Mail: | desingh@syr.edu |
| Comments: | electronic structure visualization |
| Computer System: | DEC-alpha |
| Name: | Torulf Lind |
| Department: | Physics, Stockholm |
| Organisation: | Quantum Chemistry |
| E-Mail: | torulf@physto.se |
| Comments: | Gaussian94 output. Frequency modes and the movie option are very useful to us! |
| Computer System: | Digital Unix, 49 platforms(Dec 3000/300 to PWS 500/500)! |
| Name: | Vasili S. Znamenski |
| Department: | Computer Science Department |
| Organisation: | Kabardino-Balkarian State University |
| E-Mail: | zvs@kbsu.nalchik.su |
| Comments: | |
| Computer System: | Windows 95 |
| Name: | D. Blunk |
| Department: | Institute of Organich Chemistry |
| Organisation: | Technische Universitaet Berlin |
| E-Mail: | blunk@chem.tu-berlin.de |
| Comments: | Mainly as GUI for MOPAC. |
| Computer System: | Linux, AIX, Irix5.3 |
| Name: | Carl Mark Windsor |
| Department: | Computational and Theoretical Chemistry |
| Organisation: | University of Manchester |
| E-Mail: | mbdtscw@cerberus.mcc.ac.uk |
| Comments: | General structure generation, manipulation and visualisation Visualisation of G94 optimisation steps and orbital plots |
| Computer System: | Irix 6.4 Origin 2000 + Linux |
| Name: | Torgil Vangberg |
| Department: | Chemistry |
| Organisation: | University of Tromso |
| E-Mail: | torgil@chem.uit.no |
| Comments: | Various visualizations |
| Computer System: | PC, SGI |
| Name: | Holger Thiesemann |
| Department: | Institut f. Physikalische Chemie |
| Organisation: | Universitaet Kiel |
| E-Mail: | holger.thiesemann@phc.uni-kiel.de |
| Comments: | Showing reaction pathes for GAUSSIAN GAMESS calculations visualizing vibrational modes |
| Computer System: | IBM RS6000 AIX 4.1 |
| Name: | Hofmann, Dieter |
| Department: | CTG |
| Organisation: | GKSS |
| E-Mail: | hofmann@gkss.de |
| Comments: | Visualization and conversion in different format of Z-matrix and of outputs of semiempirical programs |
| Computer System: | Silicon Graphics |
| Name: | Dale Morrall |
| Department: | Chemistry and Physics |
| Organisation: | Nottingham Trent University |
| E-Mail: | dpmorrall@hotmail.com |
| Comments: | I am a 3rd year student at the Nottingham Trent University and am using the Gaussian Package to do a computational study on a a number of molecules for my 3rd year project. I hope to import the output from Gaussian into the Molden package in order for me to view the molecular structure and to alter the bond angles between atoms. |
| Computer System: | Student |
| Name: | Dr. Dirk Singer |
| Department: | Chemistry |
| Organisation: | Howard University |
| E-Mail: | dsinger@polymer.chem.howard.edu |
| Comments: | Visualization of Gaussian94 and GamessUK results, checking of input files for these packages, and related tasks in ongoing research. |
| Computer System: | Silicon Graphics Indigo2, Linux PC |
| Name: | Jim Rustad |
| Department: | EMSL |
| Organisation: | Pacific Northwest National Lab |
| E-Mail: | jr_rustad@pnl.gov |
| Comments: | use to view results of gaussian output |
| Computer System: | linux, sgi, sun |
| Name: | Dr. Alessia Bacchi |
| Department: | Dipartimento di Chimica Generale ed Inorganica |
| Organisation: | University of Parma - Italy |
| E-Mail: | bacchi@ipruniv.cce.unipr.it |
| Comments: | Visualization tool for Gaussian and Mopac output |
| Computer System: | irix6.2, windows95 |
| Name: | Dr Michael Antolovich |
| Department: | School of Science & Technology |
| Organisation: | Charles Sturt University |
| E-Mail: | mantolovich@csu.edu.au |
| Comments: | I would like to use it for displaying GAMESS data (will be looking at modelling Inorganic Complexes) |
| Computer System: | SGI/Ultrix |
| Name: | Jeff Luci |
| Department: | Chemistry |
| Organisation: | University of Iowa |
| E-Mail: | jluci@blue.weeg.uiowa |
| Comments: | Read GAMESS and Gaussian log files for display and electrostatic pot. maps. By the way: THANK YOU THANK YOU THANK YOU! This is going to help my research more than anyting I could wish for! |
| Computer System: | SGI, IRIX 5.1 |
| Name: | tfcheng |
| Department: | Life Science |
| Organisation: | NTHU |
| E-Mail: | tfcheng@doom2.life.nthu.edu.tw |
| Comments: | which is fast and can render POV-RAY. |
| Computer System: | Freebsd, DEC, AIX, IRIX |
| Name: | Istvan Vago |
| Department: | Organic Chemistry |
| Organisation: | Technical University of Budapest |
| E-Mail: | ivago@goliat.eik.bme.hu |
| Comments: | makeing and editing Z matrixes examining g94 calculated results |
| Computer System: | linux |
| Name: | Yaroslav Tikhiy |
| Department: | Chemistry Department |
| Organisation: | Moscow State University |
| E-Mail: | yar@comp.chem.msu.su |
| Comments: | Building initial geometries for Mopac & Gamess and visualising optmized geometries and vibrations... Well, I'll see what else one can gain from MolDen :-) |
| Computer System: | Solaris, FreeBSD |
| Name: | Takashi Kyotani |
| Department: | Institute for Chemical Reaction Science |
| Organisation: | Tohoku University |
| E-Mail: | kyotani@icrs.tohoku.ac.jp |
| Comments: | Viewing MO shape |
| Computer System: | SGI |
| Name: | Feng Tian |
| Department: | department of chemistry |
| Organisation: | University of Florida |
| E-Mail: | tian@chem.ufl.edu |
| Comments: | use as a graphic interface for gamess and guassin |
| Computer System: | window 95 |
| Name: | Adrian Roitberg |
| Department: | Biotechnology Division |
| Organisation: | NIST |
| E-Mail: | adrian@nist.gov |
| Comments: | |
| Computer System: | SGI |
| Name: | Krueger |
| Department: | Institut fuer Pharmazeutische Chemie |
| Organisation: | Philipps-Universitaet Marburg |
| E-Mail: | krueger2@mailer.uni-marburg.de |
| Comments: | viewing abinitio calculations |
| Computer System: | linux Irix6.3 |
| Name: | Christoph Helma |
| Department: | |
| Organisation: | Inst. f. Tumor Biology - Cancer Research |
| E-Mail: | Christoph.Helma@univie.ac.at |
| Comments: | Visualization of Mopac calculations |
| Computer System: | PC/Linux |
| Name: | dr. Mario Rosati |
| Department: | |
| Organisation: | CASPUR |
| E-Mail: | rosati@caspur.it |
| Comments: | Post-processing of Tight Binding Molecular Dynamics jobs |
| Computer System: | Linux on Pentium Pro/Pentium II |
| Name: | Roger P. Pawlowski |
| Department: | Chemical Engineering |
| Organisation: | State University of New York at Buffalo |
| E-Mail: | rpp@eng.buffalo.edu |
| Comments: | Visualize transition state structures of thermal decomposition reactions |
| Computer System: | Silicon Graphics O2/R10000 processor |
| Name: | DOMERCQ |
| Department: | Institut des Materiaux de Nantes |
| Organisation: | Centre National de la Recherche Scientifique |
| E-Mail: | domercq@cnrs-imn.fr |
| Comments: | I want to draw the result of my calculations with Gaussian 94. In particular I want to have the drawing of the molecular orbitals of the molecules. |
| Computer System: | VMS |
| Name: | Ken Wilson |
| Department: | Department of Chemistry |
| Organisation: | Quantum Theory Project |
| E-Mail: | wilson@qtp.ufl.edu |
| Comments: | I intend to write an ACES2 interface to MOLDEN |
| Computer System: | X |
| Name: | WANG DE-PING |
| Department: | CHEMISTRY |
| Organisation: | HKUST |
| E-Mail: | chwang@chsg3.ust.hk |
| Comments: | Gassian compatible |
| Computer System: | sgi |
| Name: | Georgia McGaughey |
| Department: | Structural Biology |
| Organisation: | Wyeth-Ayerst Research |
| E-Mail: | mcgaugg@war.wyeth.com |
| Comments: | visualization of orbitals |
| Computer System: | SGI |
| Name: | X. Dosi Veiga |
| Department: | Dep. Fisica Aplicada |
| Organisation: | University of Vigo - Campus de Ourense |
| E-Mail: | dosi@irisfa.uvigo.es |
| Comments: | Representation of moleculas from the Gaussian output. Calculation of interatomic distances. Visualizatio of diferent kinds of molecular surfaces. |
| Computer System: | SGI - Irix 6.3 |
| Name: | Nathan Stevens |
| Department: | none |
| Organisation: | none |
| E-Mail: | nat250@asan.com |
| Comments: | To view the force output of mopac7 |
| Computer System: | Linux |
| Name: | Joe Rongen |
| Department: | |
| Organisation: | |
| E-Mail: | joerongen@mgenerations.net |
| Comments: | Interface to GAMESS...if possible. |
| Computer System: | Windows 95 |
| Name: | Daniel T. Stoelting |
| Department: | Chemistry Department |
| Organisation: | Virginia State University |
| E-Mail: | dstoelt@vsu.edu |
| Comments: | I expect to visualize molecular orbitals and also molecular vibrations. Mopac 7.0 and Gamess-US are running on my computer and were compiled using f2c/gcc (djgppv2). Molden is the missing link for me since it will enable me to see such things as MO's and vibrations. |
| Computer System: | Windows 95 |
| Name: | Nadja Saendig |
| Department: | Chemistry |
| Organisation: | University of Tasmania |
| E-Mail: | nsaendig@postoffice.sandybay.utas.edu.au |
| Comments: | |
| Computer System: | PC |
| Name: | Chan, Siu Pang |
| Department: | Chemistry |
| Organisation: | The Chinese University of Hong Kong |
| E-Mail: | s971531@mailserv.cuhk.edu.hk |
| Comments: | I am now using Molden(I forget whether I have registed or not), It is quite good. |
| Computer System: | DEC Alpha |
| Name: | park seung woo |
| Department: | chemistry |
| Organisation: | student of koreauniversity |
| E-Mail: | sci0529@tiger.korea.ac.kr |
| Comments: | I have gaussian 94w I want to view molculstructur |
| Computer System: | |
| Name: | Xavier Barril |
| Department: | Bioquimica i Biologia Molecular |
| Organisation: | Universitat de Barcelona |
| E-Mail: | xavi@sgbq.bq.ub.es |
| Comments: | Analysis of Gaussian outputs |
| Computer System: | SGI |
| Name: | Rafael R. Pappalardo |
| Department: | Dept. Quimica Fisica |
| Organisation: | Univ. de Sevilla |
| E-Mail: | rafapa@cica.es |
| Comments: | To visualize Gaussian outputs |
| Computer System: | Linux, HP-UX |
| Name: | Jorge Trindade |
| Department: | Physics |
| Organisation: | Univ. Coimbra |
| E-Mail: | alberto@hydra.ci.uc.pt |
| Comments: | visualization of 3D structures from Gauss and Gamess |
| Computer System: | Pentium II |
| Name: | Lars Freund |
| Department: | Westfaelische Wilhelms-Universitaet Muenster |
| Organisation: | Organisch-Chemisches Institut |
| E-Mail: | freund@uni-muenster.de |
| Comments: | Visualization of quantum chemical calculations. |
| Computer System: | RS6000/AIX |
| Name: | Helio F. Dos Santos |
| Department: | Department of Chemistry |
| Organisation: | Universidade Federal de Minas Gerais |
| E-Mail: | helius@netuno.qui.ufmg.br |
| Comments: | My main interest in Molden is to visualize and analyse the Molecular Orbitals. |
| Computer System: | SGI, SUN and IBM |
| Name: | Nigel W. Moriarty |
| Department: | Mechanical Eng. |
| Organisation: | UC Berkeley |
| E-Mail: | moriarty@newton.berkeley.edu |
| Comments: | MO display |
| Computer System: | RS6k |
| Name: | Jean-Luc Barras |
| Department: | Inorgnic Chemistry |
| Organisation: | University of Fribourg (switzerland) |
| E-Mail: | jean-luc.barras@unifr.ch |
| Comments: | Coords interface w/ADF |
| Computer System: | linux |
| Name: | Dr. David W. Price |
| Department: | Chemistry |
| Organisation: | University of Reading |
| E-Mail: | d.w.price@reading.ac.uk |
| Comments: | viewing output from ADF / GAMESS 95 |
| Computer System: | Indy (IRIX 5.3) / PC (windows95) |
| Name: | Imre G. Csizmadia |
| Department: | Chemistry |
| Organisation: | University of Toronto |
| E-Mail: | icsizmad@alchemy.chem.utoronto.ca |
| Comments: | Molecular visualization of Gaussian 92/94 output |
| Computer System: | Silicon Graphics Workstation (IRIX 6.2) |
| Name: | Mark A. Zottola |
| Department: | |
| Organisation: | Alabama Supercomputer Center |
| E-Mail: | asnmaz01@asc.edu |
| Comments: | Personal use for visualization of transition states and structures from QM calcs |
| Computer System: | SGI, Cray |
| Name: | Alexey Yakovlev |
| Department: | Quantum Chemistry Lab |
| Organisation: | Inst of Catalysis, Russian Academy of Sciences |
| E-Mail: | jack@catalysis.nsk.su |
| Comments: | In scientific work. |
| Computer System: | Wintel |
| Name: | Pedersen,Bjoern |
| Department: | Inst. org. Chemie und Biochemie LS I |
| Organisation: | TU Muenchen |
| E-Mail: | bjoern@poseidon.org.chemie.tu-muenchen.de |
| Comments: | Visualization of Gamess-US output |
| Computer System: | Linux 2.0.33/ Pentium90 |
| Name: | Jun-Liang Chen |
| Department: | |
| Organisation: | Synchrotron Radiation Research center |
| E-Mail: | jlchen@alpha1.srrc.gov.tw |
| Comments: | |
| Computer System: | SGI |
| Name: | Dr Rob DEETH |
| Department: | Chemistry |
| Organisation: | University of Warwick |
| E-Mail: | r.j.deeth@warwick.ac.uk |
| Comments: | Interface to ADF for MO plotting |
| Computer System: | DEC |
| Name: | Beukes, Jon |
| Department: | Spectroscopy |
| Organisation: | University of Copenhagen, 1/7-98 Univ. of Oslo |
| E-Mail: | beukes@kjemi.uio.no |
| Comments: | For illustrations of Gaussian calculations and vibrations. |
| Computer System: | WindowsNT / Unix |
| Name: | Stan Zygmunt |
| Department: | Physics and Astronomy |
| Organisation: | Valparaiso University |
| E-Mail: | szygmunt@exodus.valpo.edu |
| Comments: | I use GAUSSIAN extensively to investigate hydrocarbon cracking reactions in zeolites. I would like to use Molden to visualize the output I get from GAUSSIAN. |
| Computer System: | DEC alpha |
| Name: | Jennifer Green |
| Department: | Inorganic Chemistry |
| Organisation: | University of Oxford |
| E-Mail: | jennifer.green@chem.ox.ac.uk |
| Comments: | To examine the output from electronic structure calculation in particular ADF and Gaussian |
| Computer System: | Silicon Graphics |
| Name: | F A Hamprecht |
| Department: | Chemistry |
| Organisation: | ETHZ |
| E-Mail: | fah@igc.phys.chem.ethz.ch |
| Comments: | visualization of normal mode analyses and of MOs |
| Computer System: | unix/linux |
| Name: | Nick Fotopoulos |
| Department: | Chem. Eng. Biospectroscopy lab. |
| Organisation: | Nat. Technical Univ. of Athens |
| E-Mail: | foton263@central.ntua.gr |
| Comments: | I use the package for the normal modes (GAMESS US) visualization and IR/RAMAN bands assignment Also, drug shape and ESP surface analysis. Your package helps me a lot. Thank you !! |
| Computer System: | PC(Cyrix 166+, 32Mb) Win95 with Xwin server |
| Name: | Paul D Siders |
| Department: | Chemistry |
| Organisation: | University of Minnesota - Duluth |
| E-Mail: | psiders@d.umn.edu |
| Comments: | view GAMESS output files view xyz and pdf files on web sites |
| Computer System: | RedHat Linux 5 on Pentium |
| Name: | Dr. S.R. Gadre |
| Department: | Dept. of Chenistry |
| Organisation: | University of Pune |
| E-Mail: | tcg@chem.unipune.ernet.in |
| Comments: | Visualising O/P of Gamess and Gaussian. |
| Computer System: | Unix |
| Name: | Tom Fenn |
| Department: | Center for Cancer Pharmacology |
| Organisation: | University of Pennsylvania School of Medicine |
| E-Mail: | tom@spirit.gcrc.upenn.edu |
| Comments: | Visualizing results of DRC calculations done with GAMESS-US |
| Computer System: | WinNT |
| Name: | Dr. Thomas Uhlich |
| Department: | QE2 |
| Organisation: | Schering AG |
| E-Mail: | Thomas.Uhlich@schering.de |
| Comments: | |
| Computer System: | Windows |
| Name: | Friedemann Kleint |
| Department: | Chemical Ecotoxicology |
| Organisation: | Centre for Environmental Research |
| E-Mail: | fk@uoe.ufz.de |
| Comments: | Mainly generation of Ball&Stick pictures of pesticides, PCB's,HCH's, possibly some calculations |
| Computer System: | AIX 4.1.4, IRIX |
| Name: | Talbot Francis |
| Department: | Departement für Chemie und Biochemie |
| Organisation: | University of Bern |
| E-Mail: | talbot@clu.iac.unibe.ch |
| Comments: | View Gaussian94 inputs and outputs. |
| Computer System: | linux |
| Name: | Angelo Sironi |
| Department: | Chimica Strutturale e Stereochimica Inorganica |
| Organisation: | Universita' degli Studi di Milano |
| E-Mail: | angelo@csmtbo.mi.cnr.it |
| Comments: | visualization of gaussian results |
| Computer System: | windows NT and unix |
| Name: | Przemyslaw Czyryca |
| Department: | Inst.of Applied Radiation Chemistry |
| Organisation: | Technical University of Lodz |
| E-Mail: | pczyryca@itr2.p.lodz.pl |
| Comments: | Visualization of Gaussian output |
| Computer System: | Irix, Linux |
| Name: | Siegmar Kardinal |
| Department: | Synthesechemie |
| Organisation: | Universitaet Wien |
| E-Mail: | kardinal@methin.orc.univie.ac.at |
| Comments: | Visualization of results from Gaussian 94 |
| Computer System: | SGI O2 R5000SC |
| Name: | Peteris Prusis |
| Department: | Farmacology |
| Organisation: | Uppsala University |
| E-Mail: | Peteris.Prusis@farmbio.uu.se |
| Comments: | Analyse results from GAMESS and MOPAC. |
| Computer System: | IRIX |
| Name: | JUAN F. RIVAS-SILVA |
| Department: | INSTITUTO DE FISICA |
| Organisation: | UNIVERSIDAD AUTONOMA DE PUEBLA |
| E-Mail: | rivas@sirio.ifuap.buap.mx |
| Comments: | Visualization of outputs (gaussian, gamess, ...) of models in our research in crystals with dopants by quantum chemical methods. |
| Computer System: | HP-RISC MOD. 715/100XC |
| Name: | Sing Yin Chen |
| Department: | Chemistry |
| Organisation: | FU-JEN CATHOLIC UNIVERSITY |
| E-Mail: | shin@hermes.fju.edu.tw |
| Comments: | To display output of Gaussian. I hope that the future version of molden will support ECP(effective core potential) calculation |
| Computer System: | IBM RS6000 AIX |
| Name: | Ataualpa Albert Carmo Braga |
| Department: | CHEMISTRY |
| Organisation: | UNICAMP |
| E-Mail: | atabraga@cenapad.unicamp.br |
| Comments: | I need of Molden for anything I do |
| Computer System: | aix |
| Name: | William L. Karney |
| Department: | Chemistry |
| Organisation: | University of San Francisco |
| E-Mail: | karney@usfca.edu |
| Comments: | I intend to use Molden to visualize structures, orbitals, vibrations, and reaction paths from Gaussian output. |
| Computer System: | SGI O2 or OCTANE |
| Name: | Patrick Fleming |
| Department: | Department of chemistry |
| Organisation: | California State University, Sacramento |
| E-Mail: | pfleming@csus.edu |
| Comments: | prepare jobs for mopac and gaussian |
| Computer System: | Xwindows |
| Name: | Wolfgang utz |
| Department: | Inst. for Pharmacy and Food Chemistry |
| Organisation: | University of Erlangen-Nuremberg |
| E-Mail: | utz@pharmazie.uni-erlangen.de |
| Comments: | read in gaussian and gamess files, showin electorn density,etc. |
| Computer System: | Irix6.2 |
| Name: | Sung Kwang Lee |
| Department: | Department of Chemistry |
| Organisation: | Yonsei University |
| E-Mail: | lsk@alchemy.yonsei.ac.kr |
| Comments: | |
| Computer System: | Pentium II 233MHz (Windows NT 4.0) |
| Name: | Martin Fuesslein |
| Department: | Department of Organic Chemistry |
| Organisation: | Technical University of Berlin |
| E-Mail: | mf@wap0105.chem.tu-berlin.de |
| Comments: | Use of Molden as graphical interface for the visualization of GAMESS output files |
| Computer System: | w95/P90/24MB |
| Name: | paul |
| Department: | |
| Organisation: | private |
| E-Mail: | |
| Comments: | |
| Computer System: | |
| Name: | Matthew L. Peterson |
| Department: | Chemistry |
| Organisation: | Carnegie Mellon University |
| E-Mail: | mp5y@cyrus.andrew.cmu.edu |
| Comments: | Visuallization of Gaussian input and output. |
| Computer System: | WindowsNT |
| Name: | Patric Benziher |
| Department: | Catalysis Division |
| Organisation: | National Chemical Laboratory |
| E-Mail: | pbenzi@hotmail.com |
| Comments: | To view the input and output files of GAMESS calculations |
| Computer System: | SGI |
| Name: | Jaroslaw Tomczak |
| Department: | Chemistry |
| Organisation: | University of Wroclaw |
| E-Mail: | jatom@gerwazy.chem.uni.wroc.pl |
| Comments: | visualisation of normal coordinates |
| Computer System: | Solarix 2.5.1 x86 |
| Name: | Renzo Cimiraglia |
| Department: | Chemistry |
| Organisation: | University |
| E-Mail: | cim@dns.unife.it |
| Comments: | I'll use Molden to visualize orbital plots, to look at vibrational normal modes, to see the convergence in geometry optimizations. |
| Computer System: | Linux |
| Name: | Maurizio Dal Colle |
| Department: | Chemistry |
| Organisation: | University of Ferrara |
| E-Mail: | mau@dns.unife.it |
| Comments: | MO visualisation |
| Computer System: | Macintosh, Linux |
| Name: | One-Sun Lee |
| Department: | Chemistry |
| Organisation: | Seoul National University |
| E-Mail: | onesun@bachem.snu.ac.kr |
| Comments: | I was surprised. |
| Computer System: | irix |
| Name: | Rohit Medhekar |
| Department: | Chemistry |
| Organisation: | The University of Iowa |
| E-Mail: | medhekar@terminator.chem.uiowa.edu |
| Comments: | To view Gaussian and Gamess output files |
| Computer System: | SGI |
| Name: | Alexander A. Bagatur'yants |
| Department: | Laboratory of Quantum Chemistry and Molecular Simulation |
| Organisation: | Photochemistry Center, Russian Academy of Sciences |
| E-Mail: | sasha@icp.rssi.ru |
| Comments: | Visualization of GAMESS, Gaussian, and ADF outputs |
| Computer System: | Windows NT (Pentium), Digital Unix (DEC alpha station) |
| Name: | Kazuhide Nakata |
| Department: | Chemistry |
| Organisation: | Faculty of Liberal Arts, Hosei University |
| E-Mail: | nakata@fujimi.hosei.ac.jp |
| Comments: | |
| Computer System: | Alpha |
| Name: | Isabella Baccarelli |
| Department: | Chemistry, University La Sapienza |
| Organisation: | Theoretical Physical Chemistry Group |
| E-Mail: | baccarel@caspur.it |
| Comments: | Drawing models of protonated Helium clusters |
| Computer System: | |
| Name: | Frank Schmauder |
| Department: | Institute of Physical Chemistry |
| Organisation: | University |
| E-Mail: | franks@heineken.chemie.uni-dortmund.de |
| Comments: | To prepare and to handle input of Gaussian jobs |
| Computer System: | Linux and AIX |
| Name: | Balint Sztaray |
| Department: | General and Inorganic Chemistry |
| Organisation: | ELTE |
| E-Mail: | sztaray@para.chem.elte.hu |
| Comments: | Visualization of ACES/Gaussian calculations. |
| Computer System: | Linux |
| Name: | TEULER Jean-Marie |
| Department: | Coordination Chimie |
| Organisation: | CNRS-IDRIS |
| E-Mail: | teuler@idris.fr |
| Comments: | As the Chemical Software Administator of IDRIS, I intend to make Molden available to my users and to support them in using it. I have already been contacted by a group of users who want to calculate ESP charges after an ADF "densf" calculation. |
| Computer System: | IBM RS/6000 (AIX 4.2) |
| Name: | Jun Li |
| Department: | Department of Chemistry |
| Organisation: | The Ohio State University |
| E-Mail: | li.208@osu.edu |
| Comments: | To plot the electron density and vibrational modes from ADF and GAMESS output |
| Computer System: | SGI workstation or PC Pentium |
| Name: | William R. Kearney, Ph.D. |
| Department: | College of Medicine NMR Facility |
| Organisation: | University of Iowa |
| E-Mail: | william-kearney@uiowa.edu |
| Comments: | We will use Molden to view changes in the properties of models of the active sites of enzymes as we change computational methods and the external environment. We use GAUSSIAN 94, GAMESS and DALTON. |
| Computer System: | sgi octane |
| Name: | Tino Fernández Blanco |
| Department: | Química-Física y Analitica |
| Organisation: | Facultad de Quimica; Universidad de Oviedo |
| E-Mail: | Tino@dwarf1.quimica.uniovi.es |
| Comments: | To draw and plot molecules from Gaussian and Gamess output, what is very usefull in my ab-initio works |
| Computer System: | Varies |
| Name: | Pieretti Andrea |
| Department: | Chimica |
| Organisation: | University of Rome "La Sapienza" |
| E-Mail: | a.pieretti@caspur.it |
| Comments: | Use it in conjunction with Gaussian9* |
| Computer System: | unix/linux |
| Name: | Martin Diefenbach |
| Department: | Institut fuer Organische Chemie |
| Organisation: | Technische Universitaet Berlin |
| E-Mail: | mad@vodka.chem.tu-berlin.de |
| Comments: | Read G94 outputs: - Opt/Freq/IRC etc. for - small/medium molecules (5-20 Atoms) and - visualize Geometries, - measure distances and angles - or animate + Optimizations + Harmonic Frequencies (TS!) + Reaction Paths |
| Computer System: | LINUX 2.0 (i686), AIX 4.2 (RS/6000); perhaps: WinNT |
| Name: | James A. Dix |
| Department: | Chemistry |
| Organisation: | State University of New York |
| E-Mail: | dix@binghamton.edu |
| Comments: | plot output of PCGAMESS |
| Computer System: | win95 |
| Name: | Luis F.Pacios |
| Department: | Quimica y Bioquimica |
| Organisation: | Universidad Politecnica de Madrid |
| E-Mail: | lfp@atenea.montes.upm.es |
| Comments: | Processing electron densities computed with GAUSSIAN: displaying electron density maps and intersting them into biomolecular models of electrostatic interactions |
| Computer System: | UNIX (DEC/Alpha) |
| Name: | Marianna Fanti |
| Department: | Department of Chemistry |
| Organisation: | Universita' di Bologna |
| E-Mail: | marianna@ciam.unibo.it |
| Comments: | I'm going to use molden to view and build molcules starting from fragments; to plot orbitals and to create nice pictures. |
| Computer System: | pentium II biprocessor |
| Name: | Max Valdez |
| Department: | Facultad de Ciencias |
| Organisation: | Universidad Autnoma del Estado de Morelos |
| E-Mail: | maxvalde@servm.fc.uaem.mx |
| Comments: | As a tool to understand and make calculations in quantum mechanics. I'm a Ph.D. Student in Chemistry |
| Computer System: | Powerc |
| Name: | Pourtois |
| Department: | Service de Chimie des Matriaux Nouveaux |
| Organisation: | University of Mons-Hainaut |
| E-Mail: | Geoffrey@averell.umh.ac.be |
| Comments: | Vizualization of Gaussian output |
| Computer System: | IBM-RS6000 (UNIX), LINUX, NT4.0 |
| Name: | H. Bögel |
| Department: | Inst. Phys. Chem. (Merseburg) |
| Organisation: | University of Halle |
| E-Mail: | boegel@chemie.uni-halle.de |
| Comments: | Visualization of GAUSSIAN94 (98) data |
| Computer System: | SGI |
| Name: | Michael Edelwirth |
| Department: | Institut fuer Kristallographie |
| Organisation: | University of Munich |
| E-Mail: | m.edelwirth@lrz.uni-muenchen.de |
| Comments: | show output from mopac93 and gaussian runs. |
| Computer System: | Windows 95 |
| Name: | Leonard Jeloaica |
| Department: | GROUP OF ATOMIC AND MOLECULAR PHYSICS |
| Organisation: | UNIVERSITY OF BUCHAREST, FACULTY OF PHYSICS |
| E-Mail: | jeloaica@alpha1.infim.ro |
| Comments: | I study the adsorption of the atoms and molecules on the solids' surfaces. I already used the ADF code to investigate the atomic H on the cluster-model of the graphite surface and I wish to try for comparison the classical ab-initio and semi-empirical methods. |
| Computer System: | PENTIUM PC/LINUX |
| Name: | Rajesh Lakhanpal |
| Department: | Textiles |
| Organisation: | UMIST |
| E-Mail: | mcti3rl1@fs1.li.umist.ac.uk |
| Comments: | electron density mapping of various dyestuffs. |
| Computer System: | Windows 95 |
| Name: | Beregovaya Irina V. |
| Department: | Siberian Branch of the Russian Academy of Sciences |
| Organisation: | Novosibirsk Institute of Organic Chemistry |
| E-Mail: | ira@sun1.nioch.nsc.ru |
| Comments: | We shall use MOLDEN in conjunction with GAMESS US and MOPAC programms. |
| Computer System: | SUN |
| Name: | Cory Bystrom |
| Department: | Chemistry |
| Organisation: | Institute of Molecuar Biology |
| E-Mail: | |
| Comments: | Gamess output viewing |
| Computer System: | Apple Macintosh running MkLinux/LinuxPPC |
| Name: | Furet Eric |
| Department: | laboratoire de physicochimie |
| Organisation: | E.N.S.C.R. |
| E-Mail: | furet@univ-rennes1.fr |
| Comments: | - preparation and modification of gaussian input files - processing of output files (MO's, forces, ...) |
| Computer System: | IBM RS/6000 |
| Name: | |
| Department: | Organic Chemistry and Applyied |
| Organisation: | |
| E-Mail: | tesi@cocibm.ch.unito.it |
| Comments: | I use molden with the output of gaussian 94 to have an easy ready of it |
| Computer System: | |
| Name: | Mihaly Mezei |
| Department: | Physiology & Biophysics |
| Organisation: | Mount Sinai School of Medicine |
| E-Mail: | mezei@inka.mssm.edu |
| Comments: | To support currentab initio calculations (using both Gamess and Gaussian) by visualizing the orbitals. |
| Computer System: | SGI |
| Name: | Elly Karlsen |
| Department: | Chemistry |
| Organisation: | University of Oslo |
| E-Mail: | Elly.Karlsen@kjemi.uio.no |
| Comments: | |
| Computer System: | SGI |
| Name: | Glauco Tonachini |
| Department: | Chimica generale ed organica applicata |
| Organisation: | University of Torino |
| E-Mail: | glauco@a500.ch.unito.it |
| Comments: | Visualizing vibrations with Gaussian94 |
| Computer System: | alpha 500/500 |
| Name: | ROSMUS Pavel |
| Department: | Theoretical Chemistry |
| Organisation: | Univeresity of Marne la Vallee |
| E-Mail: | p@rosmus.univ-mlv.fr |
| Comments: | Difference density plots |
| Computer System: | HP |
| Name: | Sehoon, Kim |
| Department: | Fiber and Polymer Science |
| Organisation: | Seoul National Univ. |
| E-Mail: | kimse@plaza1.snu.ac.kr |
| Comments: | |
| Computer System: | PC Window95 |
| Name: | Dr Dimitrios Galanakis |
| Department: | Department of Pharmaceutical Chemistry, School of Pharmacy |
| Organisation: | Aristotelian University of Thessaloniki |
| E-Mail: | dg@oxygen.pharm.auth.gr |
| Comments: | Analysis of drug molecules. |
| Computer System: | SG O2 IRIX 6.3, LINUX |
| Name: | R. Graham Cooks |
| Department: | Chemistry |
| Organisation: | Purdue University |
| E-Mail: | cooks@purdue.edu |
| Comments: | |
| Computer System: | Windows95 |
| Name: | Hugo A Garcia |
| Department: | |
| Organisation: | Object Chemistry |
| E-Mail: | elhugo@objectchemistry.com |
| Comments: | Educational chemical visualization |
| Computer System: | Solaris (x86,sparc) |
| Name: | Ronan Rodrgigues Braga |
| Department: | fisics |
| Organisation: | UNB |
| E-Mail: | ronan@.fis.unb.br |
| Comments: | |
| Computer System: | |
| Name: | Danica Dolnicar |
| Department: | Department of Chemical Education and Informatics |
| Organisation: | University of Ljubljana |
| E-Mail: | danica.dolnicar@uni-lj.si |
| Comments: | I intend to use Molden (together with Mopac, Chime, Symphony and VRML) as a tool for visualisaton (and animation) of chemical structures on the www. |
| Computer System: | Windows 95 |
| Name: | Albert-Jan Brouwer |
| Department: | Dept. of molecular physics |
| Organisation: | Leiden University |
| E-Mail: | ajbrouw@rulhm1.LeidenUniv.nl |
| Comments: | Plotting of molecular orbitals so as to select relevant ones for CI calculations. |
| Computer System: | RS6000 |
| Name: | David Lauvergnat |
| Department: | Chemistry |
| Organisation: | University College London |
| E-Mail: | uccadml@ucl.ac.uk |
| Comments: | view the orbitals |
| Computer System: | Power Challenge |
| Name: | Andreas Lammers |
| Department: | Physikalische und Theoretiosche Chemie |
| Organisation: | Technische Universität München |
| E-Mail: | Andreas.Lammers@ch.tum.de |
| Comments: | Visualsizing results from gaussian |
| Computer System: | irix6, linux, DEC-OSF |
| Name: | Motohiro NAKANO |
| Department: | Department of Applied Chemistry |
| Organisation: | Osaka University |
| E-Mail: | moto@ch.wani.osaka-u.ac.jp |
| Comments: | I want to draw contour map of orbitals. |
| Computer System: | DEC Alpha workstation |
| Name: | Burda Jaroslav |
| Department: | Dep. Chem. Phys. |
| Organisation: | Charles University |
| E-Mail: | burda@quantum.karlov.mff.cuni.cz |
| Comments: | |
| Computer System: | SGI |
| Name: | Dr. Stephan Matzinger |
| Department: | Institute of Physical Chemistry |
| Organisation: | University of Fribourg |
| E-Mail: | Stephan.Matzinger@unifr.ch |
| Comments: | |
| Computer System: | SGI, Linux |
| Name: | Dr Nik Kaltsoyannis |
| Department: | Chemistry |
| Organisation: | University College London |
| E-Mail: | n.kaltsoyannis@ucl.ac.uk |
| Comments: | Mainly for the visualisation of ADF results, especially MO countour plots |
| Computer System: | RS6000/DEC Alpha |
| Name: | Takamasa Nonaka |
| Department: | BioEngineering |
| Organisation: | Nagaoka University of Technology |
| E-Mail: | nonaka@vos.nagaokaut.ac.jp |
| Comments: | graphical representation of electron density distribution |
| Computer System: | SGI R400 INDIGO |
| Name: | Minoru OTANI |
| Department: | Material physics |
| Organisation: | Osaka University, Japan |
| E-Mail: | otani@aquarius.mp.es.osaka-u.ac.jp |
| Comments: | Gaussian 94 |
| Computer System: | SGI ORIGN200 |
| Name: | David Chalmers |
| Department: | Medicinal Chemistry |
| Organisation: | Victorian College of Pharmacy |
| E-Mail: | david.chalmers@vcp.monash.edu.au |
| Comments: | To edit z-matricies to facilitated the calculation of reaction coordinates using Mopac |
| Computer System: | SGI |
| Name: | Ralf Flaig |
| Department: | Chemistry Department |
| Organisation: | Institute for Crystallography, Free University of Berlin |
| E-Mail: | flaig@chemie.fu-berlin.de |
| Comments: | analysis of electron densities |
| Computer System: | SGI, Linux |
| Name: | Robert Sternal |
| Department: | Faculty of Physics |
| Organisation: | Student's society of physics |
| E-Mail: | robster@ifg.amu.edu.pl |
| Comments: | |
| Computer System: | Linux 2.0 |
| Name: | Paul J. Gane |
| Department: | Dept. of Pharmacology |
| Organisation: | Drug Design Group |
| E-Mail: | pjg29@cam.ac.uk |
| Comments: | electrostatic calcn of small molecules |
| Computer System: | Indigo2 IMPACT 10000 |
| Name: | Andreas Pape |
| Department: | Chemistry |
| Organisation: | University of Konstanz |
| E-Mail: | apape@sg12.chemie.uni-konstanz.de |
| Comments: | Visualization of the results of ab-initio- and density functional calculations on main group element phosphine complexes |
| Computer System: | SGI-Irix, Linux x86 |
| Name: | Elmar Neumann |
| Department: | Anorganische Chemie II |
| Organisation: | Universität - GH - Siegen |
| E-Mail: | neumann2@student.uni.siegen.de |
| Comments: | Visualisation of GAMESS, GAUSSIAN, ADF and SHELX out- and inputfiles |
| Computer System: | LINUX |
| Name: | Harvey Lieberman |
| Department: | Chemical Engineering |
| Organisation: | UMIST |
| E-Mail: | h.lieberman@umist.ac.uk |
| Comments: | Visualising results from Gaussian calculations. |
| Computer System: | SGI |
| Name: | Moigno |
| Department: | Chemistry and physics |
| Organisation: | University |
| E-Mail: | Damien@phys.chem.uni-wuerzburg.de |
| Comments: | |
| Computer System: | DEC |
| Name: | Francisco Ruiz |
| Department: | oo |
| Organisation: | puc |
| E-Mail: | faruiz@puc.cl |
| Comments: | tt |
| Computer System: | windows nt |
| Name: | Jeffrey W. Hudgens |
| Department: | Chemical and Physical Processes Division |
| Organisation: | NIST |
| E-Mail: | hudgens@nist.gov |
| Comments: | z-matrix design, structure visualizations--mostly for free radicals |
| Computer System: | Windows NT 4.0 |
| Name: | Essam Hammam |
| Department: | Chemistry Department |
| Organisation: | Southampton University |
| E-Mail: | e.hammam@soton.ac.uk |
| Comments: | Visulization of Gaussian94, Mopac, and Vamp results. |
| Computer System: | Unix |
| Name: | Ahmed El-Nahas |
| Department: | Applied Chemistry |
| Organisation: | University of Tokyo |
| E-Mail: | elnahas@qcl.t.u-tokyo.ac.jp |
| Comments: | |
| Computer System: | |
| Name: | Oliver Hill |
| Department: | Chemistry |
| Organisation: | University of Cape Town |
| E-Mail: | semper@dircon.co.uk |
| Comments: | View GAMESS results. Structures, Orbitals and normal modes of vibration. |
| Computer System: | Windows95 |
| Name: | Mitsuo Koshi |
| Department: | Dept. of chemical system engineering |
| Organisation: | University of Tokyo |
| E-Mail: | koshi@chemsys.t.u-tokyo.ac.jp |
| Comments: | |
| Computer System: | Unix (FreeBSD and Linux) |
| Name: | Yun. Sung-sin |
| Department: | University of Inchon |
| Organisation: | Department of Chemistry |
| E-Mail: | eoqjf@hanmail.net |
| Comments: | |
| Computer System: | IBM RS/6000 AIX4.2 |
| Name: | Dott. Giovanni Ghigo |
| Department: | Chimica Generale e Organica Applicata |
| Organisation: | Universita' di Torino |
| E-Mail: | ghigo@cocibm.ch.unito.it |
| Comments: | Usefull tool to PES study to check minimums and transition structures. Tool to get figures for PhD Dissertation. |
| Computer System: | Alpha 500, RISC 6000, PC Pentium |
| Name: | Jose Kaneti |
| Department: | Physical Organic Chemistry |
| Organisation: | Institute of Organic Chemistry |
| E-Mail: | kaneti@orgchm.bas.bg |
| Comments: | |
| Computer System: | x586, Linux |
| Name: | James Hess |
| Department: | Dept. of Chemistry and Biochemistry |
| Organisation: | University of Delaware |
| E-Mail: | hess@udel.edu |
| Comments: | Visualization of Gaussian94 output, mostly to visualize vibrational modes and to follow geometry optimizations. |
| Computer System: | SGI |
| Name: | Stuart A Macgregor |
| Department: | Chemistry |
| Organisation: | Heriot-Watt University |
| E-Mail: | S.A.Macgregor@hw.ac.uk |
| Comments: | For molecular orbital plotting/electron density maps using output from ADF |
| Computer System: | SunUltra2 |
| Name: | Dr. Matthias Mann |
| Department: | Institut fuer Organische Chemie |
| Organisation: | TU Dresden |
| E-Mail: | mann@coch03.chm.tu-dresden.de |
| Comments: | Visualization of Gaussian / Gamess(US) results (Orbitals, Geometries, ...) |
| Computer System: | AIX, LINUX |
| Name: | Bill King |
| Department: | Biochemistry and Molecular Biology |
| Organisation: | Australian National University |
| E-Mail: | Bill.King@anu.edu.au |
| Comments: | Visualisation of MOs |
| Computer System: | SGI, Linux? |
| Name: | lou massa |
| Department: | Chemistry |
| Organisation: | Hunter College, CUNY |
| E-Mail: | LMassa@Hunter.CUNY>edu |
| Comments: | Visualization of Quantum Crystallography |
| Computer System: | PC |
| Name: | TURINICI GABRIEL |
| Department: | |
| Organisation: | ASCI |
| E-Mail: | turinici@asci.fr |
| Comments: | an easy way to navigate through all the GAMESS options |
| Computer System: | linux and IBM |
| Name: | Laboratory for the Structure of Matter |
| Department: | Code 6030 |
| Organisation: | Naval Research Lab |
| E-Mail: | deschamp@harker.nrl.navy.mil |
| Comments: | Visualization of Gaussian output and comparison of various models for electron density |
| Computer System: | SGI and Windows-95 (if available) |
| Name: | Michi-toshi Hayashi |
| Department: | N/A |
| Organisation: | Inst. of Atomic and Molecular Sciences |
| E-Mail: | atmyh@po.iams.sinica.edu.tw |
| Comments: | Plot molecular orbitals |
| Computer System: | windows95 |
| Name: | Angelo Vargas |
| Department: | Biochemisches Institut der Universitat Zurich |
| Organisation: | University of Zurich |
| E-Mail: | vargas@bioc.unizh.ch |
| Comments: | Z-Matrix editor Graphical interface for Gaussian 94 |
| Computer System: | SGI Iris Indigo XS24 4000 |
| Name: | Thomas Holme |
| Department: | Chemistry |
| Organisation: | University of Wisconsin Milwaukee |
| E-Mail: | tholme@uwm.edu |
| Comments: | Visualization of GAMESS US output files including vibrational frequencies and molecular orbitals. |
| Computer System: | SunOs - Solaris 2.6 |
| Name: | Nicolas Saettel |
| Department: | Chemistry |
| Organisation: | University of Notre Dame |
| E-Mail: | nsaettel@nd.edu |
| Comments: | for all the visualisation of my gaussian calculations |
| Computer System: | UNIX and IRIX |
| Name: | Xuan-Ming Duan |
| Department: | Biopolym. Phys. Lab. |
| Organisation: | Inst. Phys. Chem. Res. (RIKEN) |
| E-Mail: | xmduan@postman.riken.go.jp |
| Comments: | I hope use MOLDEN for showing the results obtained from MOPAC and Gaussian. |
| Computer System: | MachTen on Power Mac |
| Name: | Victor H. Ortega Barreda |
| Department: | Laboratorio de Computo Cientifico |
| Organisation: | Facultad de Cs de la computacion- BUAP |
| E-Mail: | vhortega@quitel.cs.buap.mx |
| Comments: | i expect what giveme more information about of my calcules in g94, graphics, etc... |
| Computer System: | linux |
| Name: | canan |
| Department: | chemistry |
| Organisation: | hacettepe university |
| E-Mail: | canan@eti.cc.hun.edu.tr |
| Comments: | using molden programme to creat Z-Matrix for mopac and gamess. And also to anlyzes the results which are produce by these methods. |
| Computer System: | research |
| Name: | MUSTAFA MITHAT BAYRAMGIL |
| Department: | PHYSICS ENGINEERING |
| Organisation: | HACETTEPE UNIVERSITY |
| E-Mail: | mmb@hun.edu.tr |
| Comments: | to create z_matrix for mopac programme |
| Computer System: | win95 |
| Name: | jack flanagan |
| Department: | Molecular Medicine |
| Organisation: | john curtin school of medical research, Australian National University |
| E-Mail: | jack.flanagan@anu.edu.au |
| Comments: | Veiwing oup of gaussian in pdb form at the moment and electron densities when i get round to it. Might even get to veiwing orbitals and using them |
| Computer System: | win95 |
| Name: | Dr. B.W. Tattershall |
| Department: | Department of Chemistry |
| Organisation: | University of Newcastle |
| E-Mail: | Bruce.Tattershall@ncl.ac.uk |
| Comments: | Visualising electron density from Gaussian94 calculations on large molecules. |
| Computer System: | Sun 4 ultrasparc or Pentium PC/Windows95 |
| Name: | Dennis J. Guss |
| Department: | |
| Organisation: | HomeSoft Software |
| E-Mail: | djg.homesoft@t-online.de |
| Comments: | I wanna use it for school |
| Computer System: | Win 98 |
| Name: | Torsten Herbertz |
| Department: | Chemistry |
| Organisation: | Rutgers University |
| E-Mail: | torsten@rutchem.rutgers.edu |
| Comments: | |
| Computer System: | PC Win98 |
| Name: | Olav Fossgaard |
| Department: | Department of Chemistry |
| Organisation: | University of Tromsoe |
| E-Mail: | olav@chem.uit.no |
| Comments: | Visualisation of Gaussian 94 outout Make plots |
| Computer System: | Linux Redhat 5.1 |
| Name: | Alex MacKerell |
| Department: | Pharmaceutical Sciences |
| Organisation: | University of Maryland, School of Pharmacy |
| E-Mail: | alex@mmiris.ab.umd.edu |
| Comments: | Visualization of output from quantum chemical calculations primarily using the gaussian package |
| Computer System: | SGI |
| Name: | buergi thomas |
| Department: | Chemistry |
| Organisation: | ETH-Zurich |
| E-Mail: | buerg@tech.chem.ethz.ch |
| Comments: | view gaussian in/output |
| Computer System: | silicon graphics indigo2 |
| Name: | Frank Glahe |
| Department: | Inorganic Chemistry III |
| Organisation: | University of Dortmund |
| E-Mail: | uch480@pop.uni-dortmund.de |
| Comments: | -visualisation of ADF-Output (hopefully more options in the near future) -viewing geometry-optimisation(xyz)-files -construct molecules(great!) |
| Computer System: | AIX,Linux,WIN98/NT |
| Name: | Sung-Hae Lee |
| Department: | Chemistry |
| Organisation: | Koear Advanced Institute of Science and Technology |
| E-Mail: | ocean@daidun.kaist.ac.kr |
| Comments: | |
| Computer System: | |
| Name: | Philippe A. Bopp |
| Department: | Laboratoire de Chimie-Physique Moleculaire |
| Organisation: | Universite Bordeaux I |
| E-Mail: | pab@loriot.lsmc.u-bordeaux.fr |
| Comments: | set up and analysis of ab-initio jobs set up of molecular geometries for Molecular Dynamics simulations |
| Computer System: | IBM F50 332Mhz |
| Name: | dhpan |
| Department: | Department of Chemistry |
| Organisation: | The University of Hong Kong |
| E-Mail: | dhpan@hkusua.hku.hk |
| Comments: | Ab initio caculation |
| Computer System: | |
| Name: | Galecka Katarzyna |
| Department: | Chemistry |
| Organisation: | WPI |
| E-Mail: | kgalecka@wpi.edu |
| Comments: | see results from MOPAC calculations |
| Computer System: | Win 95 |
| Name: | shruti |
| Department: | chemistry |
| Organisation: | iit kanpur |
| E-Mail: | shruti@iitk.ernet.in |
| Comments: | academic purpose |
| Computer System: | sgi indigo 2 |
| Name: | Tommi Matila |
| Department: | Department of Physical Sciences |
| Organisation: | University of Oulu |
| E-Mail: | tommi.matila@oulu.fi |
| Comments: | A simple structure illustrator used with Gaussian 94/98. |
| Computer System: | SGI, Sun (Sparc), DEC-Alpha |
| Name: | George P. Ford |
| Department: | Chemistry |
| Organisation: | Southern Methodist University |
| E-Mail: | gford@smu.edu |
| Comments: | Electron density plots from gaussian, and for general Z-matrix editing and other file format conversions. |
| Computer System: | SGI |
| Name: | Nils Bokermann |
| Department: | Chemistry |
| Organisation: | University of Bielefeld |
| E-Mail: | bokerman@hrz.uni-bielefeld.de |
| Comments: | Construction of z-matrices for gamess. |
| Computer System: | Linux |
| Name: | Dr. Heinrich Selzle |
| Department: | Phys. Chemie |
| Organisation: | TU Muenchen |
| E-Mail: | heinrich.selzle@ch.tum.de |
| Comments: | visulization of GAUSSIAN outputs |
| Computer System: | irix |
| Name: | Gareth Chelvanayagam |
| Department: | Genetics |
| Organisation: | ANU |
| E-Mail: | Gareth.Chelva@anu.edu.au |
| Comments: | chemical visualisation gaussian output |
| Computer System: | solaris |
| Name: | Eduardo Medina de la Rosa |
| Department: | Química Inorgánica |
| Organisation: | Universidad de La Laguna |
| E-Mail: | emedina@ull.es |
| Comments: | I expect to draw structures from GAMESS US output, and to represent density maps. |
| Computer System: | Windows 98 |
| Name: | MORIKI KAZUNORI |
| Department: | ELECTORIC AND ELECTORNICS |
| Organisation: | MUSASHI INSTITUTE TECHNOLOGY |
| E-Mail: | moriki@elm.ee.musashi-tech.ac.jp |
| Comments: | |
| Computer System: | |
| Name: | Fabio Cesar Gozzo |
| Department: | Institute of Chemistry |
| Organisation: | State University of Campinas |
| E-Mail: | fabio@iqm.unicamp.br |
| Comments: | I use Molden as an interface for pre and post Gaussian calculations. Also used for preparing high quality pictures for publication. |
| Computer System: | FreeBSD |
| Name: | Glyn Cooper |
| Department: | Chemistry |
| Organisation: | Univ. British Columbia |
| E-Mail: | cooper@chem.ubc.ca |
| Comments: | Research using electron momentum spectroscopy. |
| Computer System: | Windows95 |
| Name: | Michael Thompson |
| Department: | Molecular Biology |
| Organisation: | The Scripps Research Institute |
| E-Mail: | miket@scripps.edu |
| Comments: | viewing structures and movies of structures from data i am getting from density functional geometry optimization of my molecule. |
| Computer System: | Unix/Linux |
| Name: | Hazel Cox |
| Department: | School of Chemistry, physics and environ. science |
| Organisation: | University of Sussex |
| E-Mail: | h.cox@sussex.ac.uk |
| Comments: | I'll be using it to generate and explore optimized structures for/from ADF in z-matrix format |
| Computer System: | SG indigo 2 R10000 |
| Name: | Jesus S. Cruz |
| Department: | Unida SARA |
| Organisation: | Universidad Veracruzana |
| E-Mail: | scruz@bugs.invest.uv.mx |
| Comments: | visualization of G94 output |
| Computer System: | windows NT |
| Name: | Haapaniemi Esa |
| Department: | NMR laboratory |
| Organisation: | VERIFIN/University of Helsinki |
| E-Mail: | eha@cwnmrind.helsinki.fi |
| Comments: | I just searched for Gamess to work with that, and from it's homapeage found info on available visual tools. Lets see if I can use them... Thank you ! |
| Computer System: | Windows-NT 4sp3 |
| Name: | RNDr.Jan Šimbera |
| Department: | org.chemistry |
| Organisation: | University VUT-Brno |
| E-Mail: | Šimberová@fbm.vutbr.cz |
| Comments: | I am interasting for organic chemistry synthesis in simulation on computers and all about |
| Computer System: | |
| Name: | Hong-Shun Ju |
| Department: | Chemistry |
| Organisation: | National Taiwan Normal University |
| E-Mail: | oboe@tsailun.chem.ntnu.edu.tw |
| Comments: | I |
| Computer System: | FreeBSD, Win95 |
| Name: | Dr. Pinchas Aped |
| Department: | Department of Chemistry |
| Organisation: | Bar-Ilan University |
| E-Mail: | aped@mail.biu.ac.il |
| Comments: | Analyzing results from Gaussian (94E2, and soon 98), and Gamess (US and UK) results, for small and medium size systems. |
| Computer System: | IBM-RS/6000 (AIX) |
| Name: | Phil Biggin |
| Department: | Structural Biology |
| Organisation: | The Salk Institute |
| E-Mail: | phil@perutz.salk.edu |
| Comments: | Visualization of GAMESS output. |
| Computer System: | SGI/Linux |
| Name: | ventura |
| Department: | ladir |
| Organisation: | cnrs |
| E-Mail: | ventura@glvt-cnrs.fr |
| Comments: | visualize molecular vibrations issued from Gaussian |
| Computer System: | SiliconGraphics Indy |
| Name: | Osamu Takahashi |
| Department: | Chemistry |
| Organisation: | Hiroshima University |
| E-Mail: | shu@chem.sci.hiroshima-u.ac.jp |
| Comments: | 1.display the MOs and electron density from GAMESS and Gaussian output file. |
| Computer System: | Linux |
| Name: | Claudio Redaelli |
| Department: | Scienze |
| Organisation: | University of Insubria |
| E-Mail: | clod@fis.unico.it |
| Comments: | |
| Computer System: | Linux, AIX, Sun-Solaris |
| Name: | Haw Yang |
| Department: | Chemistry |
| Organisation: | UC Berkeley |
| E-Mail: | hyang@uclink4.berkeley.edu |
| Comments: | Plot MO and geometry of GAMESS output |
| Computer System: | PC-Linux |
| Name: | Dayle Smith |
| Department: | Chemistry |
| Organisation: | University of Arizona |
| E-Mail: | smithd@u.arizona.edu |
| Comments: | We will use Molden to plot HOMO's of dipole-bound anions. We may use it to visualize molecular vibrations also. |
| Computer System: | UNIX |
| Name: | Robert Bohn |
| Department: | High Performance Systems & Services |
| Organisation: | NIST |
| E-Mail: | rbohn@nist.gov |
| Comments: | To visualize GAUSSIAN and GAMESS output |
| Computer System: | sgi, linux |
| Name: | Doz. Dr. H. Bögel |
| Department: | Inst. Physical Chemistry |
| Organisation: | University of Halle |
| E-Mail: | boegel@chemie.uni-halle.de |
| Comments: | Visualization of MOPAC, G94 and ADF results. Creating VRML for Computer-Based-Learning |
| Computer System: | W95 (later SGI) |
| Name: | Antonio Morreale |
| Department: | Quimica Organica |
| Organisation: | Universidad de Alcala de Henares |
| E-Mail: | antonio.morreale@uni.alcala.es |
| Comments: | Visualization of gaussian and mopac output |
| Computer System: | SGI R10000 O2 IRIX 6.3 |
| Name: | Yoshihisa Kawaguchi |
| Department: | Material Science |
| Organisation: | Electrotechnical Laboratory |
| E-Mail: | elg01@etl.go.jp |
| Comments: | electron density map |
| Computer System: | |
| Name: | Jack Simons |
| Department: | Chemistry |
| Organisation: | University of Utah |
| E-Mail: | simons@chemistry.utah.edu |
| Comments: | To prepare nice figures for publication |
| Computer System: | IBM-RS6000 (Macintosh?) |
| Name: | Eric I Arnoth |
| Department: | Chemistry & Biochemistry |
| Organisation: | University of Delaware |
| E-Mail: | earnoth@udel.edu |
| Comments: | To view Gaussian output in Computational Chemistry PhD work. Also to prepare animations and images |
| Computer System: | Win95 |
| Name: | Osthoff, Hans |
| Department: | Chemistry |
| Organisation: | |
| E-Mail: | hosthoff@ualberta.ca |
| Comments: | Graduate Course in Computational Quantum Chemistry |
| Computer System: | Windows 95 |
| Name: | A. Jongejan |
| Department: | Enzymology |
| Organisation: | TU Delft |
| E-Mail: | aldo@dutsh15.tudelft.nl |
| Comments: | Display of GAMESS output |
| Computer System: | SGI Indigo & O2 |
| Name: | Richard P. Muller |
| Department: | Chemistry |
| Organisation: | Caltech |
| E-Mail: | rpm@wag.caltech.edu |
| Comments: | Viewing electronic wave functions. Perhaps writing converters to other electronic structure programs. |
| Computer System: | SGI IRIX |
| Name: | Thomas Henkel |
| Department: | Mikrosysteme |
| Organisation: | Institut für Physikalische Hochtechnologie e.V. |
| E-Mail: | henkel@ipht-jena.de |
| Comments: | -GUI for visualization of peptides and -generation/modification/transformation of input files for tinker, visualization of results |
| Computer System: | i386, Linux, Debian HAMM |
| Name: | Alessandro Venturini |
| Department: | ICoCEA |
| Organisation: | CNR - Area Della Ricerca di Bologna |
| E-Mail: | ale@icow04.icocea.bo.cnr.it |
| Comments: | Gaussian and Tinker user |
| Computer System: | Dec/Alpha-500 and IBM/RS6000 |
| Name: | Michael A. Odeneye |
| Department: | Chemistry |
| Organisation: | Sussex University, Brighton, England |
| E-Mail: | kaph8@central.sussex.ac.uk |
| Comments: | Graphical display |
| Computer System: | Unix |
| Name: | Phillip Matz |
| Department: | Materials Science |
| Organisation: | Washington State University |
| E-Mail: | matz@wsunix.wsu.edu |
| Comments: | Molecular Orbital Viewing |
| Computer System: | x86/WinNT |
| Name: | Dimas Suarez Rodriguez |
| Department: | Physical Chemistry |
| Organisation: | University of Oviedo |
| E-Mail: | dsr@dwarf1.quimica.uniovi.es |
| Comments: | Visualizing and/or animating Gaussian Output Files |
| Computer System: | IBM RS6000 |
| Name: | Andrew Komornicki |
| Department: | |
| Organisation: | Polyatomics Research Inst. |
| E-Mail: | komornic@crl.com |
| Comments: | Would like to explore use of Molden to build molecules and to visualize output from quantum chemical computations. |
| Computer System: | DEC alpha osf/1 |
| Name: | Gerald Stangl |
| Department: | Didaktik der Chemie |
| Organisation: | Universität Bayreuth |
| E-Mail: | Gerald.Stangl@uni-bayreuth.de |
| Comments: | Visualisation of Chemical Structures for use in education in the case of university and school. |
| Computer System: | WIN NT 4.0 |
| Name: | M.F.Bobrov |
| Department: | Quantum Chemistry |
| Organisation: | MUCTR |
| E-Mail: | mikel@muctr.edu.ru |
| Comments: | Education only! Not for Russian Academy of Sciense! For our ordinary students. |
| Computer System: | IBM PC PENTIUM (Intell) 200 |
| Name: | Conrad Newton |
| Department: | Theoretical Chemistry |
| Organisation: | Lund University |
| E-Mail: | newton@signe.teokem.lu.se |
| Comments: | to look at Gaussian output files |
| Computer System: | silicon graphics |
| Name: | Jose Nazario |
| Department: | Dept of Biochemistry |
| Organisation: | Case Western Reserve University |
| E-Mail: | jose@biocserver.cwur.edu |
| Comments: | evaluation of ADF, MOPAC calculations, setup of ADF and MOPAC calcs. |
| Computer System: | IRIX6, Linux/Intel and PPC |
| Name: | SERGIO DANIEL DALOSTO |
| Department: | PHYSICS |
| Organisation: | INTEC-CONICET- UNL |
| E-Mail: | SDALOSTO@INTEC.UNL.EDU.AR |
| Comments: | I need to see gaussian output; orbitals, potentials,etc |
| Computer System: | WINDOWS |
| Name: | Drew Parsons |
| Department: | Laboratoire de Chimie Theorique |
| Organisation: | Universite Henri Poincare |
| E-Mail: | Drew.Parsons@lctn.u-nancy.fr |
| Comments: | Visualising molecular structures and associated properties (normal vibrations) Possibly to help in creating new geometries |
| Computer System: | Win95/Win98 |
| Name: | Javier Hernandez |
| Department: | Departamento de Quimica. facultad de Ciencias. La Universidad del Zulia |
| Organisation: | Laboratorio de Quimica Inorganica Teorica |
| E-Mail: | javier@sinamaica.ciens.luz.ve |
| Comments: | We work in a research project to charaterize zeolites catalyst, and others, using Bader´s Theory. So, we need the program to represent the laplacian of the charge density |
| Computer System: | Silicon Graphics Inc. |
| Name: | K. Babu |
| Department: | Department of Chemistry |
| Organisation: | University of Pune |
| E-Mail: | babu_k@iname.com |
| Comments: | I'm a researcher in Computaional Quantum Chemistry and have been using Molden for about 8 months. I'm using it for visualisation of Gaussian 94 inputs/outputs |
| Computer System: | HP-UX, SGI |
| Name: | Larquey Céline |
| Department: | gironde:33500 |
| Organisation: | ste AIMCO |
| E-Mail: | clarquey@aimco.fr |
| Comments: | |
| Computer System: | |
| Name: | Kevin Kubarych |
| Department: | Chemistry |
| Organisation: | University of Toronto |
| E-Mail: | kjk@lphys.chem.utoronto.ca |
| Comments: | hopefully to create input coordinates for mopac. |
| Computer System: | linuxppc |
| Name: | Ariana Beste |
| Department: | Chemistry |
| Organisation: | Philipps-Universitaet Marburg |
| E-Mail: | beste@mathematik.uni-marburg.de |
| Comments: | * following optimizations done by gaussian98 * displaying vibrations |
| Computer System: | linux |
| Name: | I J Turchi |
| Department: | Computer Assisted Drug Design |
| Organisation: | R W Johnson PRI |
| E-Mail: | iturchi@prius.jnj.com |
| Comments: | Visualization of Gaussian property calculations |
| Computer System: | WinNT |
| Name: | Qinghao Chen |
| Department: | Chemistry |
| Organisation: | MIT |
| E-Mail: | hao@mit.edu |
| Comments: | Visualization |
| Computer System: | Linux (libc 5), Solaris 2.6, Irix 6.2 |
| Name: | Justin Finnerty |
| Department: | Department of Chemistry |
| Organisation: | University of Queensland |
| E-Mail: | j.finnerty@chemistry.uq.edu.au |
| Comments: | My group uses Gaussian 94 to calculate geometry and infrared spectra. I find the z-mat editor and the force visualization invaluable tools in my work. I have recently started to use the electron density and orbital projections to visualize zwitterionic intermediates/transition states. I think that molden is a great program, thankyou. |
| Computer System: | aix, osf and linux |
| Name: | Aplincourt Philippe |
| Department: | UMR CNRS-UHP No 7565 |
| Organisation: | Laboratoire de chimie theorique |
| E-Mail: | Philippe.Aplincourt@lctn.u-nancy.fr |
| Comments: | I have to study reaction path at the CASSCF level. Thanks to the MOLDEN software, i can verify that my active space is the same along the path. MOLDEN is a very useful tool for studies perform at the MCSCF levels. |
| Computer System: | |
| Name: | VERGOTEN Gerard |
| Department: | Chemistry |
| Organisation: | University Sciences and Technologies |
| E-Mail: | vergoten@chouia.univ-lille1.fr |
| Comments: | interface with gaussian |
| Computer System: | SGI Octane R10000 |
| Name: | Dr. Elke Hunstock |
| Department: | Instituto de Tecnologia Quimica e Biologica |
| Organisation: | Quimica Teorica |
| E-Mail: | elke@itqb.unl.pt |
| Comments: | Gaussian98 visualisation |
| Computer System: | Unix, Linux |
| Name: | Bela Paizs |
| Department: | Department of Biophysics |
| Organisation: | German Cancer Research Center |
| E-Mail: | B.Paizs@DKFZ-Heidelberg.de |
| Comments: | Gaussian output visualisation |
| Computer System: | IBM RS6000 |
| Name: | Yasuhiro Yamada |
| Department: | Chemistry |
| Organisation: | The Science University of Tokyo |
| E-Mail: | yasu"ch.kagu.sut.ac.jp |
| Comments: | I have just obtained the copy of Molden. I am going to use Molden to visuarize output of Gaussian. |
| Computer System: | Linux |
| Name: | Bui Tho Thanh |
| Department: | Chemistry |
| Organisation: | Vietnam National University - Ho Chi Minh city |
| E-Mail: | btthanh@hcmu.edu.vn |
| Comments: | Plot the molecular orbitals, |
| Computer System: | Pentium II, 266 MHz, 64 MB RAM, |
| Name: | Damian Moran |
| Department: | Department of Chemistry |
| Organisation: | University of Georgia |
| E-Mail: | dmoran@chem.uga.edu |
| Comments: | gaussian front end |
| Computer System: | AIX, Linux, SGI, SunOS, |
| Name: | Markus Meuwly |
| Department: | Chem. Department |
| Organisation: | |
| E-Mail: | Markus.Meuwly@durham.ac.uk |
| Comments: | Displaying molecular structures |
| Computer System: | SGI |
| Name: | Olga |
| Department: | Physics, University of Patras , GREECE |
| Organisation: | Falagara |
| E-Mail: | falagara@physics.upatras.gr |
| Comments: | I am a PhD student doing theoretical research on small clusters, and so use Molden to visualize results from ab inito and semi-empirical calculations |
| Computer System: | HP-UX , Windows 98 |
| Name: | A. G. Samuelson |
| Department: | Inorganic and Physical Chemistry |
| Organisation: | Indian Institute of Science |
| E-Mail: | ashoka@ipc.iisc.ernet.in |
| Comments: | for visualising results from abinitio and for teaching mo theory to incoming grad students. |
| Computer System: | sgi |
| Name: | Luminita C Jitariu |
| Department: | Chemistry |
| Organisation: | University of Warwick |
| E-Mail: | mssbu@snow.csv.warwick.ac.uk |
| Comments: | To visualize vibrational motion for various adducts and transition states as obtained in Gaussian 94 |
| Computer System: | |
| Name: | Edgar W. Ignacio |
| Department: | Chemistry |
| Organisation: | MSU-Iligan Institute of Technology |
| E-Mail: | eignacio@msuiit.msuiit.edu.ph |
| Comments: | Structures and MO presentations. This is a very usefull software, thank you. |
| Computer System: | DEC Alpha |
| Name: | Leonid Gorb |
| Department: | Chemistry |
| Organisation: | Jackson State University |
| E-Mail: | leonid@tiger.jsums.edu |
| Comments: | Gaussian visualization |
| Computer System: | Pentium |
| Name: | Alexey I. Baranov |
| Department: | Department of Chemistry, Inorganic Chemistry Division |
| Organisation: | Soft Inorganic Synthesis Lab,. Moscow State University |
| E-Mail: | alexib@inorg.chem.msu.ru |
| Comments: | Visualizing GAMESS-US calculation results: reaction paths, geometry optimizations, vibrations, distribution of electronic density |
| Computer System: | Intel Pentium under Linux |
| Name: | Frank Oellien |
| Department: | Computer Chemistry Center |
| Organisation: | University of Erlangen-Nürnberg |
| E-Mail: | franko@ccc.chemie.uni-erlangen.de |
| Comments: | |
| Computer System: | IRIX 6.3 |
| Name: | Ralf Wesendrup |
| Department: | Physical Chemistry |
| Organisation: | University of Auckland |
| E-Mail: | ralf@chenov2.auckland.ac.nz |
| Comments: | visualization of structures for geometry optimization |
| Computer System: | sgi |
| Name: | Juergen Haas |
| Department: | chemistry |
| Organisation: | University of basel |
| E-Mail: | haajue00@stud.unibas.ch |
| Comments: | experimental use in diploma thesis |
| Computer System: | LINUX-2.0 (redhat(5.1)) |
| Name: | Artali Roberto |
| Department: | Chimica Fisica Applicata - Facoltà di FARMACIA |
| Organisation: | Univ. PARMA |
| E-Mail: | r.artali@pcchimfis1.farm.unipr.it |
| Comments: | GUI for manipulation of tinker files |
| Computer System: | Linux i386 |
| Name: | Istvan Komaromi |
| Department: | Clinical Biochemistry and Molecular Pathology |
| Organisation: | University Medical School of Debrecen |
| E-Mail: | komaromi@jaguar.dote.hu |
| Comments: | Visualisation of gaussian calculations on peptides and proteins |
| Computer System: | SGI |
| Name: | Ole Meyer |
| Department: | chemistry |
| Organisation: | University |
| E-Mail: | OMeyer@aol.com |
| Comments: | |
| Computer System: | |
| Name: | Ramon van Handel |
| Department: | Chemistry Department |
| Organisation: | Vrije Universiteit, Amsterdam, the Netherlands |
| E-Mail: | vhandel@chem.vu.nl |
| Comments: | Currently, it's only playing (I'm a second-year chemistry student, and I'm having lots of fun modelling molecules and reactions using mopac and molden on my linux box at home.) I have also used mopac/molden for a lab report (theoretical background for the luminol/H2O2/Fe3+ reaction.) Perhaps in the future I'll be doing research with it, but it's a bit early to tell ;) |
| Computer System: | Currently linux, in the future possibly SGI Indy |
| Name: | M.G. Malott |
| Department: | Dept. of Chemistry |
| Organisation: | McMaster University |
| E-Mail: | malott@mcmaster.ca |
| Comments: | viewing output from g94, g98 complementary to Spartan and Cerius |
| Computer System: | SGI, PC (w95, wNT) |
| Name: | lavandera jose luis |
| Department: | chemistry |
| Organisation: | uned |
| E-Mail: | jllmvf98@mx3.redestb.es |
| Comments: | molecular modelling capabilities as well as compuattional chemistry visualization results |
| Computer System: | windows 95 |
| Name: | Kristen Murphy |
| Department: | Chemistry |
| Organisation: | University WI Milwaukee |
| E-Mail: | kmurphy@csd.uwm.edu |
| Comments: | Viewing output files from Gaussian 92 |
| Computer System: | |
| Name: | sophia yaliraki |
| Department: | chemistry |
| Organisation: | northwestern university |
| E-Mail: | yaliraki@chem.nwu.edu |
| Comments: | visualization of gaussian output |
| Computer System: | |
| Name: | MONARD Gerald |
| Department: | Department of Chemistry |
| Organisation: | Pennsylvania State University |
| E-Mail: | gmonard@proffer.chem.psu.edu |
| Comments: | Analysis of gaussian and mopac outputs (geometry, normal modes, ...) |
| Computer System: | IBM RS6000 |
| Name: | atsuo ono |
| Department: | |
| Organisation: | |
| E-Mail: | aono-tym@umin.ac.jp |
| Comments: | |
| Computer System: | linux |
| Name: | Alexander Kyrychenko |
| Department: | IX |
| Organisation: | Institute of Physical Chemistry |
| E-Mail: | kyrychen@ichf.edu.pl |
| Comments: | Visualization of Gaussian '98 output |
| Computer System: | Digital UNIX, DEC Alpha |
| Name: | Adriana Cecilia Olleta |
| Department: | Facultad de Ciencias Quimicas Departamento de Fisicoquimica |
| Organisation: | Universidad Nacional de Cordoba |
| E-Mail: | aolleta@fisquim.fcq.unc.edu.ar |
| Comments: | visualizar moleculas de output correspondientes al Programa Gaussian 94. |
| Computer System: | - |
| Name: | Prakashan Korambath |
| Department: | VSSE |
| Organisation: | Air Force Research Laboratory |
| E-Mail: | ppk@arc.unm.edu |
| Comments: | I am an NRC postdoctoral fellow. I will be using it to aid my research on III-V binary semiconductors |
| Computer System: | Solaris |
| Name: | Alexander Starukhin |
| Department: | IX |
| Organisation: | Institute of Physical Chemistry |
| E-Mail: | star@ichf.edu.pl |
| Comments: | Using Molden with Gaussian98 outputs |
| Computer System: | Windows95 |
| Name: | Daniel Tunega |
| Department: | Theoretical Chemistry |
| Organisation: | Institute of Inorganic Chemistry , Slovak Academy of Sciences |
| E-Mail: | uachtuno@savba.sk |
| Comments: | Visualisation of g94 and gammes results |
| Computer System: | Linux, HP-UX |
| Name: | Prof. Luis A. Montero |
| Department: | Facultad de Química |
| Organisation: | Universidad de La Habana |
| E-Mail: | lmc@karin.fmq.uh.edu.cu |
| Comments: | Display molecular graphics to illustrate students in pre and postgraduate level about uses of computational chemistry. I will also use it for some research result publication. |
| Computer System: | Linux |
| Name: | Stefan Fau |
| Department: | Fachbereich Chemie |
| Organisation: | Philipps-Universität Marburg |
| E-Mail: | fau@mailer.uni-marburg.de |
| Comments: | graphic creation/modification/user-def. fragment addition to larger z-matrices; visualization of MOs; wish: stronger orientation commands (like schakal, consecutive define plane + rotate axis degrees) |
| Computer System: | rs6000 |
| Name: | Emanuele Paci |
| Department: | |
| Organisation: | OCMS |
| E-Mail: | paci@bioch.ox.ac.uk |
| Comments: | |
| Computer System: | linux |
| Name: | DARGELOS |
| Department: | Chemistry |
| Organisation: | Université de PAU |
| E-Mail: | Alain.Dargelos@univ-pau.fr |
| Comments: | With GAUSSIAN |
| Computer System: | HP(HPUX) /Win95 |
| Name: | matthias ernzerhof |
| Department: | chemistry |
| Organisation: | rice university |
| E-Mail: | matthias@ymate.rice.edu |
| Comments: | visualising the results of Gaussian calculations |
| Computer System: | rs6000 |
| Name: | Holger Meissner |
| Department: | Applied Mathematics |
| Organisation: | University of Waterloo |
| E-Mail: | holger@cauga.uwaterloo.ca |
| Comments: | representation of GAMESS output |
| Computer System: | IBM/RS6000 |
| Name: | Krzysztof Ginalski |
| Department: | Interdisciplinary Centre for Mathematical and ComputationalModelling |
| Organisation: | Warsaw University |
| E-Mail: | kginal@icm.edu.pl |
| Comments: | |
| Computer System: | sgi |
| Name: | omar munoz-muniz |
| Department: | Chemistry |
| Organisation: | CINVESTAV-IPN |
| E-Mail: | odamu@relaq.mx |
| Comments: | |
| Computer System: | LINUX |
| Name: | Peter Cronstrand |
| Department: | IMa |
| Organisation: | Mälarddalens University |
| E-Mail: | pcd&mdh.se |
| Comments: | Visualization of molecules for geometry preoptmization of polymers |
| Computer System: | Windows NT |
| Name: | Nandini |
| Department: | Inorganic and Physical Chemistry |
| Organisation: | Indian Institute of Science |
| E-Mail: | nandini@ipc.iisc.ernet.in |
| Comments: | I am using molden to view the optimized geometry obtained by abinitio methods |
| Computer System: | |
| Name: | Daniel Barsky |
| Department: | Biology and Biotechnology Research |
| Organisation: | Lawrence Livermore National Lab |
| E-Mail: | barsky@llnl.gov |
| Comments: | Mostly look at Gaussian output files. It would be handy if it could read Gaussian input files as well. Thanks! |
| Computer System: | SGI, linux PC |
| Name: | Shigeru Ikuta |
| Department: | Computer Center |
| Organisation: | Tokyo Metropolitan University |
| E-Mail: | ikuta@comp.metro-u.ac.jp |
| Comments: | I want to draw the results by Gaussian98 and MOLPRO using your MOLDEN. |
| Computer System: | Digital Unix4.0d |
| Name: | Tsuneo Hirano |
| Department: | Chemistry |
| Organisation: | Ochanomizu University |
| E-Mail: | hirano@chem.ocha.ac.jp |
| Comments: | Examination of orbitals and nomal modes in the MOLPRO and GAUSSIAN outputs as well as GAMESS outputs. |
| Computer System: | AIX, IRIX, DOS/V(NT4.0 and Linux) |
| Name: | N.M. Marinov |
| Department: | Chemical Sciences Division |
| Organisation: | LLNL |
| E-Mail: | |
| Comments: | |
| Computer System: | DEC Alpha - Unix |
| Name: | Jan M.L. Martin |
| Department: | Department of Organic Chemistry |
| Organisation: | Weizmann Institute of Science |
| E-Mail: | comartin@wicc.weizmann.ac.il |
| Comments: | Let me tell you if and when I manage to download it! |
| Computer System: | DEC Alpha |
| Name: | BWJ Ellenbroek |
| Department: | |
| Organisation: | |
| E-Mail: | B.Ellenbroek@inter.nl.net |
| Comments: | General interest, reaction path, stereomodels |
| Computer System: | |
| Name: | Shin Ick-Dong |
| Department: | Physics |
| Organisation: | Yeungnam University |
| E-Mail: | a9523303@chunma.yeungnam.ac.kr |
| Comments: | |
| Computer System: | Win95 |
| Name: | Fabio Luiz Garbujo |
| Department: | Chemistry Departament |
| Organisation: | University Federal of Sao Carlos |
| E-Mail: | garbujo@dq.ufscar.br |
| Comments: | We'll use molden to create Z-matrix molecules and submit calculus to gaussian and gammes. |
| Computer System: | Unix-FreeBSD and Unix-OSF1 |
| Name: | Devesh Raghubanshi |
| Department: | Chemistry |
| Organisation: | Indian Institute of technology |
| E-Mail: | devcr@iitk.acin |
| Comments: | I am studying water clusters so i need to see the structures generated by me using gaussian. |
| Computer System: | SGI, unix |
| Name: | Paul M. Lahti |
| Department: | Chemistry |
| Organisation: | Univ of Massachusetts |
| E-Mail: | lahti@chem.umass.edu |
| Comments: | Orbital analysis for CAS ab initio calcns |
| Computer System: | SGI UNIX, Intel PC, PC |
| Name: | Amresh M |
| Department: | Chemical Sciences |
| Organisation: | Indian Institute of Science |
| E-Mail: | mamresh@mailcity.com,mamresh@iname.com |
| Comments: | to get the electron density of the given molecule |
| Computer System: | netscape |
| Name: | Fernando Fabián Pedeconi |
| Department: | Departamento de Química |
| Organisation: | Universidad Nacional de Mar del Plata |
| E-Mail: | fpedeconi@yahoo.com |
| Comments: | Research in areas of molecular modeling, energy minimization, applied to inorganic chemistry |
| Computer System: | Windows 95 |
| Name: | Daniele Spera |
| Department: | Electronics Engineering |
| Organisation: | La Sapienza University |
| E-Mail: | daniele@bioem.ing.uniroma1.it |
| Comments: | Analysis os static and dinamic properties of protoporphirin IX and simpler molecules |
| Computer System: | Silicon Graphics |
| Name: | Sabine Nagel |
| Department: | Chemische Verfahrenstechnik |
| Organisation: | TU-Hamburg Harburg |
| E-Mail: | s.nagel@tu-harburg.de |
| Comments: | Analyzing Gaussian Output |
| Computer System: | Silicon Graphics |
| Name: | Doron Goldberg |
| Department: | Microbiology |
| Organisation: | MIGAL Galilee Technological Center |
| E-Mail: | goldberg@migal.co.il |
| Comments: | A viewer for mopac93 output |
| Computer System: | Linux RedHat |
| Name: | German Gunther Sapunar |
| Department: | Quimica Organica y Fisicoquimica |
| Organisation: | Universidad de Chile |
| E-Mail: | ggunther@ll.ciq.uchile.cl |
| Comments: | We need a graphical interface for MOPAC output files |
| Computer System: | Windows 95 |
| Name: | Juan Diego Bolanhos Ramirez |
| Department: | fisica de particulas elementales |
| Organisation: | Universidad del VAlle |
| E-Mail: | diego@mangle.univalle.edu.co |
| Comments: | calculos |
| Computer System: | Ultra Sparc x2 |
| Name: | Jesus Hernandez |
| Department: | Chemistry |
| Organisation: | Mc Master University |
| E-Mail: | hernand@mcmail.cis.mcmaster.ca |
| Comments: | I am particularly interested in getting plots of molecular orbitals as a help to select the active space to perform Multireference CI calculations using GAMESS US. I am also interested in the visualization of the electron density and the laplacian of the electron density. Molden appears to be very appropriate to accomplish these goals. Thanks a lot. |
| Computer System: | linux |
| Name: | Koji Hasegawa |
| Department: | |
| Organisation: | RIKEN Photodynamics Research Center, Sendai |
| E-Mail: | kojihase@postman.riken.go.jp |
| Comments: | |
| Computer System: | |
| Name: | Carl Mark Windsor |
| Department: | Computational and Theoretical Chemistry |
| Organisation: | University of Manchester |
| E-Mail: | carl.windsor@bigfoot.com |
| Comments: | Visualisation of orbitals, geometry manipulation |
| Computer System: | SGI IRIX, Linux |
| Name: | Shixi Liu |
| Department: | Center of Modern Biological Research |
| Organisation: | Yunnan University |
| E-Mail: | shixiliu@hotmail.com |
| Comments: | I'll tell you later. |
| Computer System: | Windows 95 OSR2 |
| Name: | Shixi Liu |
| Department: | Center of Modern Biological Research |
| Organisation: | Yunnan University |
| E-Mail: | shixiliu@hotmail.com |
| Comments: | I will tell you later. |
| Computer System: | Windows 95 OSR2, IRIX 5.3, Redhat Linux 5.1 |
| Name: | Laboratorio de Visualizacion |
| Department: | Visualizacion, DGSCA |
| Organisation: | UNAM |
| E-Mail: | ccdt@mira.labvis.unam.mx |
| Comments: | In this laboratory we are working with programs that let us carry out chemical calculations and we need some programs for visualization of results |
| Computer System: | SiliconGraphics |
| Name: | Roger Moeri |
| Department: | Chemistry |
| Organisation: | Swiss Federal Institute of Technology |
| E-Mail: | rmoeri@stud.chem.ethz.ch |
| Comments: | gaussian frontend convert pdb to cartesian format for gromos96 use |
| Computer System: | |
| Name: | Julio A. Seijas |
| Department: | Organic Chemistry |
| Organisation: | University of Santiago de Compostela. Facultad de Ciencias |
| E-Mail: | qoseijas@lugo.usc.es |
| Comments: | visualizing results from GAMESS, Mopac, gaussian |
| Computer System: | PC Pentium II |
| Name: | brett eric lewis |
| Department: | biochemistry |
| Organisation: | albert einstein college of medicine |
| E-Mail: | blewis@aecom.yu.edu |
| Comments: | animate vibrational modes for learning/research purposes |
| Computer System: | sgi |
| Name: | Azamat |
| Department: | Academy of science |
| Organisation: | Edris |
| E-Mail: | muh@kaznet.kz |
| Comments: | OK |
| Computer System: | Windows95 |
| Name: | Maximiliano Burgos |
| Department: | Cordoba |
| Organisation: | Universidad Nacional de Cordoba - Facultad de Cs. Quimicas |
| E-Mail: | mburgos@fisquim.fcq.unc.edu.ar |
| Comments: | visualizar calculos ab-initio hechos con el programa gaussian |
| Computer System: | ???? |
| Name: | Stefan Portmann |
| Department: | CSCS/SCSC-ETHZ |
| Organisation: | ETHZ |
| E-Mail: | portmann@scsc.ethz.ch |
| Comments: | |
| Computer System: | SGI, SUN |
| Name: | Antonio Tilocca |
| Department: | Dept. of Chemistry |
| Organisation: | University of Sassari |
| E-Mail: | osrisfol@ssmain.uniss.it |
| Comments: | visualization of MOPAC and GAMESS output |
| Computer System: | RS-6000 (AIX 4), HP-9000 (HP-UX 10.20) |
| Name: | Lauro amargo Dias Junior |
| Department: | Instituto de Quimica |
| Organisation: | Universidade Estadual de Campinas |
| E-Mail: | laurocd@iqm.unicamp.br |
| Comments: | Use to visualize the electronic density of the dye Nile Red a benzophenoxazone. Calculations made with Gaussian 94 at the ab initio level |
| Computer System: | Windows and Unix |
| Name: | Hongyong,Tong |
| Department: | Physics |
| Organisation: | Tongji University of Shanghai |
| E-Mail: | tjthy@baoscape.com |
| Comments: | |
| Computer System: | NT |
| Name: | Tomasz Motylewski |
| Department: | Institute of Physical Chemistry |
| Organisation: | Uni Basel |
| E-Mail: | motyl@stanc.chemie.unibas.ch |
| Comments: | Input generator for Gaussian 98, output analyser |
| Computer System: | Linux 2.0 |
| Name: | Dipl.-Math. A. Spahn |
| Department: | Rechenzentrum |
| Organisation: | Universität Würzburg |
| E-Mail: | spahn@rz.uni-wuerzburg.de |
| Comments: | Das Rechenzentrum der Universität Würzburg wurde vom Fachbereich Chemie gebeten, Molden auf seinen Rechnern zur Verfügung zu stellen. |
| Computer System: | Digital Unix |
| Name: | Thomas Holm Rod |
| Department: | Dep. of Physics |
| Organisation: | Center for atomic-scale Materials Physics |
| E-Mail: | trod@fysik.dtu.dk |
| Comments: | Primarily to show molecularly structures, but also to see densities and electrostatic potentials for DFT calculated structures. |
| Computer System |