Theoretical calculation into the structures, stability, sensitivity, and mechanical properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12 hexaazai-sowurtzitane (CL-20)/1-amino-3-methyl-1,2,3-triazoliumnitrate (1-AMTN) cocrystal and its mixture

Shi, YB; Bai, LF; Gong, J; Ju, X

Ju, X (corresponding author), Univ Sci & Technol Beijing, Sch Math & Phys, Beijing 100083, Peoples R China.

STRUCTURAL CHEMISTRY, 2020; 31 (2): 647

Abstract

Molecular dynamics (MD) simulation was conducted to research the effect of temperature (200-350 K) on the thermal stability, sensitivity, and mechanic......

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