Three-dimensional simulations of reversible bimolecular reactions. III. The pseudo-unimolecular ABCD reaction

Alexander V. Popov; Noam Agmon

doi:10.1063/1.1570816

Three-dimensional simulations of reversible bimolecular reactions. III. The pseudo-unimolecular ABCD reaction

Alexander V. Popov
, Noam Agmon^*

^*Corresponding author for this work

Institute of Chemistry

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

14 Scopus citations

Abstract

A microscopic simulation for the reversible ABCD reaction in its pseudo-unimolecular limit was reported. The simulations were used to assess the validity of various approximate theories for the time dependence of the approach to equilibrium. The combination of theory and simulations offered an accurate and reliable description for the important class of kinetic processes.

Original language	English
Pages (from-to)	11057-11065
Number of pages	9
Journal	Journal of Chemical Physics
Volume	118
Issue number	24
DOIs	https://doi.org/10.1063/1.1570816
State	Published - 22 Jun 2003

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abstract = "A microscopic simulation for the reversible ABCD reaction in its pseudo-unimolecular limit was reported. The simulations were used to assess the validity of various approximate theories for the time dependence of the approach to equilibrium. The combination of theory and simulations offered an accurate and reliable description for the important class of kinetic processes.",

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Three-dimensional simulations of reversible bimolecular reactions. III. The pseudo-unimolecular ABCD reaction

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