Full-dimensional neural network potential energy surface and dynamics of the CH<sub>2</sub>OO + H<sub>2</sub>O reaction.

Full-dimensional neural network potential energy surface and dynamics of the CH₂OO + H₂O reaction.

Wu, Hao; Fu, Yanlin; Dong, Wenrui; Fu, Bina; Zhang, Dong H.

Afiliação

Wu H; State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences Dalian 116023 China bina@dicp.ac.cn.
Fu Y; University of Chinese Academy of Sciences Beijing 100049 China.
Dong W; State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences Dalian 116023 China bina@dicp.ac.cn.
Fu B; State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences Dalian 116023 China bina@dicp.ac.cn.
Zhang DH; University of Chinese Academy of Sciences Beijing 100049 China.

RSC Adv ; 13(20): 13397-13404, 2023 May 02.

Article em En | MEDLINE | ID: mdl-37143908

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article