In the first chapter we have seen that there exist algorithms to refine
a transition state, provided we start with a geometry that is rather close.
To arrive at such a 'good guess' we have our chemical intuition, and a number
of tools in MOPAC. Once a geometry is characterized as a TS, it can be
transferred to Gamess for more advanced calculations.
This is the second chapter: How to locate a Transition State Previous chapter: Types of coordinates, z-matrices,
input files Next chapter: More theory Back to Main Contents page.
