microcanonical variational transition-state theory (µVTST)

https://doi.org/10.1351/goldbook.M03897
A development of @[email protected] in which the @[email protected] is varied so as to minimize the rate calculated for a fixed energy. The rate expressions obtained in a microcanonical treatment can be integrated over the energy, taking into account the statistical distribution over energy states, so as to give the canonical, or thermal, rates.
Source:
PAC, 1996, 68, 149. (A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)) on page 173 [Terms] [Paper]