Improved canonical variational transition-state theory

{
  "id": "MLC-T-CHM-005738",
  "term": "Improved canonical variational transition-state theory",
  "field": "Chemistry",
  "definition": "A refinement of canonical variational transition-state theory that, at energies under the reaction threshold, locates the dividing surface where the microcanonical threshold calculation puts it, so no contribution to the rate constant can arise from below threshold. A compromise surface is then picked to suppress contributions from reactants of higher energy. Tunneling and recrossing are treated separately through transmission coefficients, not by this step.",
  "subject": "Physical and Biophysical Chemistry",
  "see_also": [
    "canonical variational transition-state theory",
    "dividing surface",
    "order of reaction",
    "threshold energy"
  ],
  "references": [
    "PAC, 1996, 68, 149. 'A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)' on page 168 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/improved-canonical-variational-transition-state-theory/"
}