Theoretical studies on the structures and detonation properties of nitramine explosives containing benzene ring

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2443-2451

  Zhao, GuoZheng ^a   Lu, Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Benzene; Density; Density functional theory (DFT); Detonation performance; Nitramine

Indexed keywords

BENZENE DERIVATIVE; EXPLOSIVE; NITRAMINE DERIVATIVE; OXYGEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; DENSITY; DETONATION PRESSURE; DETONATION VELOCITY; ELECTRONICS; ENERGY; GEOMETRY; HEAT; PRIORITY JOURNAL; SIMULATION; THEORETICAL STUDY; THERMOSTABILITY;

ALGORITHMS; ANILINE COMPOUNDS; COMPUTER SIMULATION; EXPLOSIVE AGENTS; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITROBENZENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 84864685645     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1267-1     Document Type: Article

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