Substituent, Solvent, and Dispersion Effects on the Zwitterionic Character and Dimerization Thermochemistry of the Group 6 Fulvene Metal Tricarbonyl Complexes.

Wang, Yanshu; Wang, Huijie; Li, Huidong; Hu, Yucheng; Fan, Qunchao; King, R Bruce; Schaefer, Henry F

Wang, Yanshu; Wang, Huijie; Li, Huidong; Hu, Yucheng; Fan, Qunchao; King, R Bruce; Schaefer, Henry F.

Afiliação

Wang Y; School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, China 610039.
Wang H; School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, China 610039.
Li H; School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, China 610039.
Hu Y; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States.
Fan Q; School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, China 610039.
King RB; School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, China 610039.
Schaefer HF; Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States.

J Phys Chem A ; 126(3): 365-372, 2022 Jan 27.

Article em En | MEDLINE | ID: mdl-35023736

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article

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