Computational study of imidazole derivative as high energetic materials

Journal of Hazardous Materials

Volumn 183, Issue 1-3, 2010, Pages 622-631

  Xiaohong, Li ^a,b   Ruizhou, Zhang ^a   Xianzhou, Zhang ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

Bond dissociation energy; Density functional theory; Heat of formation; Imidazole derivatives; Isodesmic reaction

Indexed keywords

BOND DISSOCIATION ENERGIES; DENSITY FUNCTIONALS; HEAT OF FORMATION; IMIDAZOLE DERIVATIVES; ISODESMIC REACTIONS;

CHEMICAL BONDS; DISSOCIATION; THERMOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

1 PICRYLIMIDAZOLE DERIVATIVE; IMIDAZOLE DERIVATIVE; NITRIC OXIDE; NITRO DERIVATIVE; UNCLASSIFIED DRUG;

ALKALOID; CORRELATION; THERMODYNAMICS;

ARTICLE; BOND DISSOCIATION ENERGY; CHEMICAL BOND; CHEMICAL PARAMETERS; DENSITY FUNCTIONAL THEORY; HEAT; SENSITIVITY ANALYSIS; THERMOSTABILITY;

EXPLOSIONS; EXPLOSIVE AGENTS; IMIDAZOLES; NITRO COMPOUNDS; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 77956443161     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2010.07.070     Document Type: Article

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