A highly accurate full-dimensional <i>ab initio</i> potential surface for the rearrangement of methylhydroxycarbene (H<sub>3</sub>C-C-OH).

Wang, Heng-Ding; Fu, Yan-Lin; Fu, Bina; Fang, Wei; Zhang, Dong H

A highly accurate full-dimensional ab initio potential surface for the rearrangement of methylhydroxycarbene (H₃C-C-OH).

Wang, Heng-Ding; Fu, Yan-Lin; Fu, Bina; Fang, Wei; Zhang, Dong H.

Affiliation

Wang HD; 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. zhangdh@dicp.ac.cn.
Fu YL; 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. zhangdh@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. zhangdh@dicp.ac.cn.
Fang W; Fudan University, Shanghai, 200032, China. wei_fang@fudan.edu.cn.
Zhang DH; 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. zhangdh@dicp.ac.cn.

Phys Chem Chem Phys ; 25(11): 8117-8127, 2023 Mar 15.

Article de En | MEDLINE | ID: mdl-36876923

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Langue: En Journal: Phys Chem Chem Phys Sujet du journal: BIOFISICA / QUIMICA Année: 2023 Type de document: Article Pays d'affiliation: Chine Pays de publication: Royaume-Uni

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