II.2 Description of KiSThelP
Tools Bar: the Results menu
1) Refresh : to
refresh the current results
2) Save : to save the current results in a file
All parameters required for the calculations, and resulting energetics,
thermodynamical and kinetical data are saved on a text file with .kout extension.
If a (temperature range) rate constant calcution was carried out before , a fit to
Arrhenius and modified Arrhenius is done and best fit parameters put on the
file.