Canonical variational transition-state theory

{
  "id": "MLC-T-CHM-001596",
  "term": "Canonical variational transition-state theory",
  "field": "Chemistry",
  "definition": "A theoretical framework for calculating reaction rate constants that involves finding the dividing surface in phase space that minimizes the rate constant at a given temperature. This method considers all possible reaction pathways and identifies the 'bottleneck' that limits the reaction rate. It provides a more accurate prediction of reaction rates than conventional transition-state theory, especially for reactions with loose transition states.",
  "subject": "Physical and Biophysical Chemistry",
  "see_also": [
    "dividing surface",
    "microcanonical variational transition-state theory",
    "order of reaction",
    "transition state theory"
  ],
  "references": [
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 155 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/canonical-variational-transition-state-theory/"
}