Study on regulation effect of external electric field on energetic material 1-methyl-2,4,5-Trinitroimidazole.

Xu, Xiaosong; Zhang, Renfa; Xia, Wenxin; Ma, Peng; Ma, Congming

Xu, Xiaosong; Zhang, Renfa; Xia, Wenxin; Ma, Peng; Ma, Congming.

Afiliación

Xu X; College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Zhang R; College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Xia W; College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Ma P; College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China. Electronic address: mapeng@njtech.com.
Ma C; College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China; Wisdom Pharmaceutical Co., Ltd, China. Electronic address: maming1306@126.com.

J Mol Graph Model ; 116: 108237, 2022 Nov.

Article en En | MEDLINE | ID: mdl-35675726

Palabras clave

Density functional theory; External electric field; Gaussian; MTNI

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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2022 Tipo del documento: Article País de afiliación: China

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