Correlation between the bond dissociation energies and impact sensitivities in nitramine and polynitro benzoate molecules with polynitro alkyl groupings

Journal of Hazardous Materials

Volumn 150, Issue 2, 2008, Pages 317-321

  Song, Xiaoshu ^a,b   Cheng, Xinlu ^b   Yang, Xiangdong ^b   Li, Dehua ^c   Linghu, Rongfeng ^a  

^a GUIZHOU NORMAL UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

^c SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

Bond dissociation energy (BDE); Density functional theory; Explosives; Impact sensitivity; Nitro alkyl

Indexed keywords

BOND DISSOCIATION ENERGY (BDE); IMPACT SENSITIVITY; NITRO ALKYL;

ALKYLATION; BENZENE; DENSITY FUNCTIONAL THEORY; EXPLOSIVES; NITRATES; OPTIMIZATION;

MOLECULAR STRUCTURE;

ALKYL GROUP; BENZOIC ACID DERIVATIVE; CARBON; NITRAMINE; NITRO DERIVATIVE; NITROGEN DIOXIDE; POLYNITROBENZOATE; UNCLASSIFIED DRUG;

ALKYLATION; BENZENE; DENSITY FUNCTIONAL THEORY; EXPLOSIVES; MOLECULAR STRUCTURE; NITRATES; OPTIMIZATION;

EXPLOSIVE; NITROGEN DIOXIDE; SENSITIVITY ANALYSIS;

ANALYTIC METHOD; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; SENSITIVITY ANALYSIS;

ANILINE COMPOUNDS; BENZOATES; EXPLOSIVE AGENTS; MOLECULAR STRUCTURE; NITRO COMPOUNDS; NITROBENZENES;

EID: 38049095680     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2007.04.105     Document Type: Article

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