DFT Probe into the Mechanism of Formic Acid Dehydrogenation Catalyzed by Cp*Co, Cp*Rh, and Cp*Ir Catalysts with 4,4′-Amino-/Alkylamino-Functionalized 2,2′-Bipyridine Ligands
Author:
Affiliation:
1. Department of Chemistry & Computational Chemistry Laboratory, Loyola Institute of Frontier Energy (LIFE), Loyola College, University of Madras, Chennai-600 034, Tamil Nadu, India
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c05542
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