Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides-Reference-Cited by-同舟云学术

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Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides

Published:2022-10-17 Issue:42 Volume:126 Page:7566-7577
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yeo Christina¹,Nguyen Minh²,Wang Lee-Ping²^ORCID

Affiliation:

1. Department of Physics and Astronomy, University of California, Davis. 1 Shields Avenue, Davis, California 95616, United States

2. Department of Chemistry, University of California, Davis. 1 Shields Avenue, Davis, California 95616, United States

Funder

University of California, San Diego

Army Research Office

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c03072

Reference52 articles.

1. Thermodynamic Hydricity of Transition Metal Hydrides

2. Relative Hydride, Proton, and Hydrogen Atom Transfer Abilities of [HM(diphosphine)2]PF6 Complexes (M = Pt, Ni)

3. Measurement of the Hydride Donor Abilities of [HM(diphosphine)2]+ Complexes (M = Ni, Pt) by Heterolytic Activation of Hydrogen

4. Reduction of CO2 to Methanol Catalyzed by a Biomimetic Organo-Hydride Produced from Pyridine

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