microcanonical variational transition-state theory (µVTST)

https://doi.org/10.1351/goldbook.M03897
A development of @T06470@ in which the @D01823@ 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]
Citation: 'microcanonical variational transition-state theory ' in IUPAC Compendium of Chemical Terminology, 3rd ed. International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. https://doi.org/10.1351/goldbook.M03897 RIS BibTex EndNote
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Last revised: February 24, 2014