A DFT study of aminonitroimidazoles

Journal of Molecular Modeling

Volumn 18, Issue 2, 2012, Pages 597-605

  Ravi, P ^a   Gore, Girish M ^b   Tewari, Surya P ^a   Sikder, Arun K ^b  

^a UNIVERSITY OF HYDERABAD   (India)

^b HIGH ENERGY MATERIALS RESEARCH LABORATORY   (India)

Author keywords

Density; Density functional theory; Detonation velocity; Heat of formation; Pressure

Indexed keywords

1 METHYL 2,4,5 TRINITROIMIDAZOLE; 2,4 DINITRO 1H IMIDAZOLE; AMINONITROIMIDAZOLE; CHEMICAL COMPOUND; EXPLOSIVE; HEXAHYDRO 1,3,5 TRINITRO 1,3,5 TRIAZINANE; METHANE; NITRIC OXIDE; OCTAHYDRO 1,3,5,7 TETRANITRO 1,3,5,7 TETRAAZOCANE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; GEOMETRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; THERMODYNAMICS;

EXPLOSIVE AGENTS; HOT TEMPERATURE; MODELS, THEORETICAL; NITROIMIDAZOLES; SPECIFIC GRAVITY; THERMODYNAMICS;

EID: 84861234970     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1099-z     Document Type: Article

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