Semiclassical transition state theory
id:
semiclassical-transition-state-theory-247-2861888
title:
Semiclassical transition state theory
text:
Semiclassical Transition State Theory (SCTST) is an efficient chemical rate theory, which aims to calculate accurate rate constants of chemical reactions, including nuclear quantum effects such as tunnelling, from ab initio quantum chemistry. The method makes use of the semiclassical WKB wavefunction, Bohr-sommerfeld theory and vibrational perturbation theory to derive an analytical relation for the probability of a particle transmitting through a potential barrier at some energy, E. It was firs
brand slug:
wiki
category slug:
encyclopedia
description:
Chemical reaction rate theory
original url:
https://en.wikipedia.org/wiki/Semiclassical_transition_state_theory
date created:
date modified:
2021-11-17T05:34:06Z
main entity:
{"identifier":"Q60763658","url":"https://www.wikidata.org/entity/Q60763658"}
image:
fields total:
13
integrity:
14