Predicting heats of formation of energetic materials using quantum mechanical calculations

Combustion and Flame

Volumn 118, Issue 3, 1999, Pages 445-458

  Rice, Betsy M ^a   Pai, Sharmila V ^a   Hare, Jennifer ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; CALCULATIONS; ELECTROSTATICS; FLAMMABLE MATERIALS; MOLECULAR DYNAMICS; SPECIFIC HEAT; SUBLIMATION; VAPORIZATION;

ATOM EQUIVALENT METHOD; ATOMIZATION ENERGIES; ENERGETIC MATERIALS; HEAT OF FORMATION;

QUANTUM THEORY;

ARTICLE; COMBUSTION; EXPERIMENTAL MODEL; PREDICTION; PRIORITY JOURNAL; QUANTUM MECHANICS; REACTION ANALYSIS; THERMODYNAMICS; VALIDATION PROCESS;

EID: 0032599862     PISSN: 00102180     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-2180(99)00008-5     Document Type: Article

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