Benchmark Study of Density Functional Theory Methods in Geometry Optimization of Transition Metal-Dinitrogen Complexes.

Zhao, Chaoyue; Wu, Rongkai; Zhang, Shuoqing; Hong, Xin

Zhao, Chaoyue; Wu, Rongkai; Zhang, Shuoqing; Hong, Xin.

Afiliação

Zhao C; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, P. R. China.
Wu R; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, P. R. China.
Zhang S; Center of Chemistry for Frontier Technologies, Department of Chemistry, State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou 310027, P. R. China.
Hong X; Beijing National Laboratory for Molecular Sciences, No. 2, Zhongguancun North First Street, Beijing 100190, P. R. China.

J Phys Chem A ; 127(32): 6791-6803, 2023 Aug 17.

Article em En | MEDLINE | ID: mdl-37530446

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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: 2023 Tipo de documento: Article

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