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A simple relationship of bond dissociation energy and average charge separation to impact sensitivity for nitro explosives

Mei, Z; Zhao, FQ; Xu, SY; Ju, XH

Ju, XH (reprint author), Nanjing Univ Sci & Technol, Key Lab Soft Chem & Funct Mat MOE, Sch Chem Engn, Nanjing 210094, Jiangsu, Peoples R China.

JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 2019; 84 (1): 27

Abstract

The bond dissociation energy (BDE) of the weakest bonds in 33 explosives were calculated and analyzed using the B3LYP method with the 6-311++ G** basi......

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