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

American Chemical Society (ACS) - Tập 126 Số 42 - Trang 7566-7577 - 2022
Christina Yeo1, Minh‐Hai Nguyen2, Lee‐Ping Wang2
1Department of Physics and Astronomy, University of California, Davis. 1 Shields Avenue, Davis, California 95616, United States
2Department of Chemistry, University of California, Davis. 1 Shields Avenue, Davis, California 95616, United States

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