Nuclear-Electronic Orbital Multistate Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c02923
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1. Hydrogen Tunneling in Enzyme Reactions
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5. Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene
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