A guiding simulation research on developing promising energetic materials

International Journal of Quantum Chemistry

Volumn 109, Issue 8, 2009, Pages 1618-1625

  Liu, Min Hsien ^a   Cheng, Ken Fa ^a   Chen, Cheng ^a   Hong, Yaw Sun ^a  

^a NATIONAL DEFENSE UNIVERSITY   (Taiwan)

Author keywords

Detonation performance; FOX; High energy density materials; TATB

Indexed keywords

CARTESIAN COORDINATE; DETONATION PRESSURE; DETONATION VELOCITY; EMPIRICAL EQUATIONS; ENERGETIC MATERIAL; ETHYLENE DIAMINE; FOX; GLYOXAL; GROUP ADDITIVITY; HIGH ENERGY DENSITY MATERIALS; HYBRID DENSITY FUNCTIONAL THEORY; MOLECULAR DENSITY; MOLECULAR ENTHALPIES; MOLECULAR GEOMETRIES; MOLECULAR VOLUME; SIMULATION RESEARCH; SYNTHESIS REACTION; TATB; TRINITROBENZENE;

AMINES; DETONATION; ELECTRONIC STRUCTURE; ETHYLENE; FUNCTIONAL GROUPS; MOLECULAR ELECTRONICS;

DENSITY FUNCTIONAL THEORY;

EID: 67649786860     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21894     Document Type: Article

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