Recent progress in approximate quantum dynamics methods for the study of proton-coupled electron transfer reactions
Author:
Affiliation:
1. Department of Chemistry and Biochemistry
2. University of California, Los Angeles
3. Los Angeles
4. USA
5. Department of Chemistry and Environmental Science
6. New Jersey Institute of Technology
7. Newark
Abstract
We provide a detailed theoretical background and methodological perspective for the application of recently-developed quantum dynamics methods to the study of PCET, including discussion of several recent demonstrations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP05166G
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