Skip to main navigation Skip to search Skip to main content

Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K

Research output: Contribution to journalArticlepeer-review

Abstract

The quasiclassical trajectory method with Monte Carlo and importance sampling and with the Tolman interpretation of the activation energy has been used to calculate the activation energy for a bimolecular reaction at three temperatures in the range 444-2400 K. The activation energy is found to increase by 6 kcal/mol over this range.

Original languageEnglish (US)
Pages (from-to)1094-1096
Number of pages3
JournalJournal of physical chemistry
Volume85
Issue number9
DOIs
StatePublished - 1981

Fingerprint

Dive into the research topics of 'Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K'. Together they form a unique fingerprint.

Cite this