Variational transition state theory

{
  "id": "MLC-T-CHM-012519",
  "term": "Variational transition state theory",
  "field": "Chemistry",
  "definition": "An extension of conventional transition state theory that seeks to find the dividing surface in phase space that minimizes the flux of reactive trajectories. This approach aims to provide a more accurate upper bound for the reaction rate constant. The dividing surface is adjusted to account for recrossing events.",
  "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 190 (https://doi.org/10.1351/pac199668010149)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/variational-transition-state-theory/"
}