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Microcanonical variational transition-state theory

Term · Chemistry · MLC-T-CHM-007307

A theoretical framework for calculating reaction rate constants that determines the transition state as the dividing surface in phase space through which reactive trajectories pass with the minimum flux. This theory considers systems at a fixed total energy. It aims to find the optimal dividing surface that minimizes the rate constant for a given energy.

Table 1. Record
IdentifierMLC-T-CHM-007307
FieldChemistry
SubjectPhysical and Biophysical Chemistry
ReferencesPAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 173 (https://doi.org/10.1351/pac199668010149)
See alsoDividing surface; Transition state theory
Record as JSON
{
  "id": "MLC-T-CHM-007307",
  "term": "Microcanonical variational transition-state theory",
  "field": "Chemistry",
  "definition": "A theoretical framework for calculating reaction rate constants that determines the transition state as the dividing surface in phase space through which reactive trajectories pass with the minimum flux. This theory considers systems at a fixed total energy. It aims to find the optimal dividing surface that minimizes the rate constant for a given energy.",
  "subject": "Physical and Biophysical Chemistry",
  "see_also": [
    "dividing surface",
    "transition state theory"
  ],
  "references": [
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 173 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/microcanonical-variational-transition-state-theory/"
}

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