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Updated: Aug 8, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
Theoretical rate coefficients for the exchange reaction OH + D--> OD + H
Wenli Wang1, Emanuel Santos, João Brandão
1Departamento Química e Bioquímica, FCT, Universidade do Algarve, Campus de Gambelas, Faro, Portugal.
Abstract:
In this work quasiclassical trajectory calculations were carried out to determine directly the rate coefficients for the isotopic exchange reaction, OH + D-->OD + H, using a potential-energy surface that carefully accounts for the long-range interactions. The calculated thermal rate coefficients are in good agreement with the experimental results.
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