Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface.

Lin, Shichen; Peng, Daoling; Yang, Weitao; Gu, Feng Long; Lan, Zhenggang

Lin, Shichen; Peng, Daoling; Yang, Weitao; Gu, Feng Long; Lan, Zhenggang.

Afiliación

Lin S; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University, Guangzhou 510006, People's Republic of China.
Peng D; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University, Guangzhou 510006, People's Republic of China.
Yang W; Department of Chemistry, Duke University, Durham, North Carolina 27708, USA.
Gu FL; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University, Guangzhou 510006, People's Republic of China.
Lan Z; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University, Guangzhou 510006, People's Republic of China.

J Chem Phys ; 155(21): 214105, 2021 Dec 07.

Article en En | MEDLINE | ID: mdl-34879677

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2021 Tipo del documento: Article

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2021 Tipo del documento: Article