Computational insight into polynitromethyl- and polydifluoroaminomethyl-substituted energetic derivatives of 2,3-dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine.

Khan, Raza Ullah; Zhu, Weihua

Khan, Raza Ullah; Zhu, Weihua.

Afiliación

Khan RU; Department of Chemistry, Institute for Computation in Molecular and Materials Science, Nanjing University of Science and Technology, 200 Xiaolingwei Street, Nanjing, 210094, China.
Zhu W; Department of Chemistry, Institute for Computation in Molecular and Materials Science, Nanjing University of Science and Technology, 200 Xiaolingwei Street, Nanjing, 210094, China. zhuwh@njust.edu.cn.

J Mol Model ; 26(4): 78, 2020 Mar 16.

Article en En | MEDLINE | ID: mdl-32180045

Palabras clave

2,3-Dihydro pyrazino [2,3-e] [1, 2, 3, 4] tetrazine derivatives; Density functional theory; Energetic properties; Impact sensitivity; Thermal stability

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2020 Tipo del documento: Article País de afiliación: China

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