Mechanistic Investigation on the Initial Thermal Decomposition of Energetic Materials FOX-7 and RDX in the Crystal and Gas Phase: An MM/DFT-Based ONIOM Calculation.

Ma, Yinhua; Lv, Meiheng; Shang, Fangjian; Zhang, Chaoyang; Liu, Jianyong; Zhou, Panwang

Ma, Yinhua; Lv, Meiheng; Shang, Fangjian; Zhang, Chaoyang; Liu, Jianyong; Zhou, Panwang.

Afiliação

Ma Y; Department of Physics, Dalian Maritime University, Dalian 116026, China.
Lv M; College of Science, Shenyang University of Chemical Technology, Shenyang 110142, P.R. China.
Shang F; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P.R. China.
Zhang C; University of Chinese Academy of Sciences, Beijing 100049, P.R. China.
Liu J; Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang, Sichuan 621900, P.R. China.
Zhou P; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P.R. China.

J Phys Chem A ; 126(10): 1666-1673, 2022 Mar 17.

Article em En | MEDLINE | ID: mdl-35258304

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China

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