Mode-coupling theory for reaction dynamics in liquids

Nurit Shental, Eran Rabani*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

A theory for chemical reaction dynamics in condensed phase systems was presented. A microscopic approach to calculate the dynamic friction was developed. The approach provides an analytic tool to study chemical reactions in condensed phases. The accuracy of the approach was tested for a model isomerization reaction. Good agreement was obtained for the transmission coefficients at different solvent densities.

Original languageEnglish
Pages (from-to)6642-6647
Number of pages6
JournalJournal of Chemical Physics
Volume120
Issue number14
DOIs
StatePublished - 8 Apr 2004

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