Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides
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Từ khóa
Tài liệu tham khảo
Dedieu A., 1992, Transition Metal Hydrides
Dennington, R.; Keith, T. A.; Millam, J. M. GaussView version 6; Semichem Inc.: Shawnee Mission KS, 2019.
Sholl D., 2011, Density Functional Theory: A Practical Introduction
Burnham K. P., 2002, Model Selection and Multimodel Inference: A Practical Information-Theoretic Approach