improved canonical variational transition-state theory (ICVTST)

https://doi.org/10.1351/goldbook.I02993
A modification of
canonical variational transition-state theory
in which, for energies below the
threshold energy
, the position of the
dividing surface
is taken to be that of the microcanonical
threshold energy
. This forces the contributions to
rate constant
to be zero below the
threshold energy
. A compromise
dividing surface
is then chosen so as to minimize the contributions to the
rate constant
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]