Simple perturbation theory estimates of equilibrium constants from force fields

Donald G. Truhlar, Alan D. Isaacson

Research output: Contribution to journalArticlepeer-review

100 Scopus citations

Abstract

We propose and test a very simple method for calculating equilibrium constants from quartic force fields.

Original languageEnglish (US)
Pages (from-to)357-359
Number of pages3
JournalThe Journal of chemical physics
Volume94
Issue number1
DOIs
StatePublished - 1991

Fingerprint

Dive into the research topics of 'Simple perturbation theory estimates of equilibrium constants from force fields'. Together they form a unique fingerprint.

Cite this