Theoretical investigation into the solvent effect on the thermal decomposition of RDX in tetrahydrofuran, acetone, toluene, and benzene.

Ren, Fu-de; Cao, Xiong; Cui, Yu-Tong.

Afiliação

Ren FD; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China. fdren888@126.com.
Cao X; School of Environment and Safety Engineering, North University of China, Taiyuan, 030051, China.
Cui YT; College of Art and Design, Zhengzhou University of Light Industry, Zhengzhou, 450002, China.

J Mol Model ; 27(12): 343, 2021 Nov 05.

Article em En | MEDLINE | ID: mdl-34739562

Palavras-chave

Explosive sensitivity; Intermolecular hydrogen exchange; M06-2X; Solvent effect on thermal decomposition of explosive; Surface electrostatic potentials

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article