Directed regulation mechanism on chlorine substitution of PCDD/Fs isomers based on quantum chemical computation.

Hou, Meiling; Zhang, WenJie; Hu, Jun; Wang, Xinlei; Wang, Jinxing; Cen, Wanglai

Hou, Meiling; Zhang, WenJie; Hu, Jun; Wang, Xinlei; Wang, Jinxing; Cen, Wanglai.

Afiliação

Hou M; College of Engineering, Hebei Normal University, Shijiazhuang, 050024, China.
Zhang W; College of Engineering, Hebei Normal University, Shijiazhuang, 050024, China.
Hu J; College of Engineering, Hebei Normal University, Shijiazhuang, 050024, China.
Wang X; School of Energy, Power and Mechanical Engineering, North China Electric Power University, Baoding, 071003, China.
Wang J; School of Energy, Power and Mechanical Engineering, North China Electric Power University, Baoding, 071003, China. wangruoguang860928@126.com.
Cen W; Institute of New Energy and Low Carbon Technology and the National Engineering Research Center for Flue Gas Desulfurization, Sichuan University, Chengdu, 610065, China.

J Mol Model ; 29(3): 73, 2023 Feb 23.

Article em En | MEDLINE | ID: mdl-36820991

Palavras-chave

Action angle; Chlorine substitution; Energy barrier; PCDDs; Quantum chemistry

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Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2023 Tipo de documento: Article País de afiliação: China

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