Characterization of Proton Coupled Electron Transfer in a Biomimetic Oxomanganese Complex: Evaluation of the DFT B3LYP Level of Theory
Author:
Affiliation:
1. Department of Chemistry, Yale University, PO Box 208107, New Haven, Connecticut 06520-8107
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct900615b
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5. Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II
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