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Analysis of Kinetic Isotope Effects for Proton-Coupled Electron Transfer Reactions

A series of rate constant expressions for nonadiabatic proton-coupled electron transfer (PCET) reactions are analyzed and compared. The approximations underlying each expression are enumerated, and the regimes of validity for each expression are illustrated by calculations on model systems. In addit...

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Main Authors: Edwards, Sarah, Soudackov, Alexander V., Hammes-Schiffer, Sharon
Formato: Artigo
Idioma:Inglês
Publicado: 2009
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2880663/
https://ncbi.nlm.nih.gov/pubmed/19182970
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp809122y
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