improved canonical variational transition-state theory (ICVTST)

https://doi.org/10.1351/goldbook.I02993
A modification of @C00790@ in which, for energies below the @T06366@, the position of the @D01823@ is taken to be that of the microcanonical @T06366@. This forces the contributions to @O04322@ to be zero below the @T06366@. A compromise @D01823@ is then chosen so as to minimize the contributions to the @O04322@ 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]
Citation: 'improved canonical 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.I02993 RIS BibTex EndNote
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Last revised: February 24, 2014