Assessment of DFT Methods for Computing Activation Energies of Mo/W-Mediated Reactions
Author:
Affiliation:
1. Beijing National Laboratory for Molecular Sciences (BNLMS), CAS Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Funder
Institute of Chemistry, Chinese Academy of Sciences
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00373
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1. The Mononuclear Molybdenum Enzymes
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4. Molybdenum and tungsten in biology
5. Bioinorganic chemistry of molybdenum and tungsten enzymes: A structural–functional modeling approach
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