improved canonical variational transition-state theory (ICVTST)

https://doi.org/10.1351/goldbook.I02993
A modification of @[email protected] in which, for energies below the @[email protected], the position of the @[email protected] is taken to be that of the microcanonical @[email protected] This forces the contributions to @[email protected] to be zero below the @[email protected] A compromise @[email protected] is then chosen so as to minimize the contributions to the @[email protected] made by reactants having higher energies.
Source:
PAC, 1996, 68, 149. (A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)) on page 168 [Terms] [Paper]