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• W3100206607 abstract "A theory for chemical reaction dynamics in condensed phase systems based on the generalized Langevin formalism of Grote and Hynes is presented. A microscopic approach to calculate the dynamic friction is developed within the framework of a combination of kinetic and mode-coupling theories. The approach provides a powerful analytic tool to study chemical reactions in realistic condensed phase environments. The accuracy of the approach is tested for a model isomerization reaction in a Lennard-Jones fluid. Good agreement is obtained for the transmission coefficient at different solvent densities, in comparison with numerical simulations based on the reactive-flux approach." @default.
• W3100206607 created "2020-11-23" @default.
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• W3100206607 date "2004-03-25" @default.
• W3100206607 modified "2023-10-16" @default.
• W3100206607 title "Mode-coupling theory for reaction dynamics in liquids" @default.
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• W3100206607 doi "https://doi.org/10.1063/1.1667879" @default.
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• W3100206607 hasPublicationYear "2004" @default.
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