Describing proton transfer modes in shared proton systems with constrained nuclear–electronic orbital methods
Author:
Affiliation:
1. Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin-Madison 1 , 1101 University Avenue, Madison, Wisconsin 53706, USA
2. Center for Advanced Materials Research, Beijing Normal University 2 , Zhuhai 519087, China
Abstract
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0151544/18005966/231101_1_5.0151544.pdf
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2. The possible role of proton-coupled electron transfer (PCET) in water oxidation by photosystem II;Angew. Chem., Int. Ed.,2007
3. Proton-coupled electron transfer in cytochrome oxidase;Chem. Rev.,2010
4. Unraveling the detailed mechanism of excited-state proton transfer;Acc. Chem. Res.,2018
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