Mode-coupling theory for reaction dynamics in liquids

Nurit Shental; Eran Rabani

doi:10.1063/1.1667879

Mode-coupling theory for reaction dynamics in liquids

Nurit Shental
, Eran Rabani^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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 language	English
Pages (from-to)	6642-6647
Number of pages	6
Journal	Journal of Chemical Physics
Volume	120
Issue number	14
DOIs	https://doi.org/10.1063/1.1667879
State	Published - 8 Apr 2004
Externally published	Yes

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10.1063/1.1667879

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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.",

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AB - 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.

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Mode-coupling theory for reaction dynamics in liquids

Abstract

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