Quasi-Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction
Author:
Affiliation:
1. Department of Chemistry, University of Rochester, 120 Trustee Road, Rochester, New York 14627, United States
Funder
University of Rochester
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b00077
Reference108 articles.
1. Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry
2. Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
3. Theory of Coupled Electron and Proton Transfer Reactions
4. Biochemistry and Theory of Proton-Coupled Electron Transfer
5. Proton-Coupled Electron Transfer: Moving Together and Charging Forward
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