An <i>Ab Initio</i> Neural Network Potential Energy Surface for the Dimer of Formic Acid and Further Quantum Tunneling Dynamics.

Li, Fengyi; Yang, Xingyu; Liu, Xiaoxi; Cao, Jianwei; Bian, Wensheng

An Ab Initio Neural Network Potential Energy Surface for the Dimer of Formic Acid and Further Quantum Tunneling Dynamics.

Li, Fengyi; Yang, Xingyu; Liu, Xiaoxi; Cao, Jianwei; Bian, Wensheng.

Afiliación

Li F; Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
Yang X; School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
Liu X; Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
Cao J; School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
Bian W; Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.

ACS Omega ; 8(19): 17296-17303, 2023 May 16.

Article en En | MEDLINE | ID: mdl-37214673

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: ACS Omega Año: 2023 Tipo del documento: Article