Comparative Theoretical Studies of Energetic Substituted Carbon and Nitrogen-Bridged Difurazans

Journal of Physical Chemistry A

Volumn 114, Issue 1, 2010, Pages 603-612

  Zhang, Xiaowen ^a   Zhu, Weihua ^a   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BOND DISSOCIATION ENERGIES; DENSITY FUNCTIONAL THEORY METHODS; ENERGETIC PROPERTIES; HEATS OF FORMATION; HIGH ENERGY DENSITY MATERIALS; HOMO-LUMO GAPS; RING CLEAVAGE; STRUCTURAL UNIT; SUBSTITUTED CARBONS; THEORETICAL STUDY; THERMAL DECOMPOSITIONS; THERMAL STABILITY; WEAK BOND;

CHEMICAL BONDS; DETONATION; ELECTRONIC STRUCTURE; ORGANIC POLYMERS; PYROLYSIS; THERMODYNAMIC STABILITY;

DENSITY FUNCTIONAL THEORY;

AZO COMPOUND; CARBON; DIFURAZAN; FURAN DERIVATIVE; NITROGEN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; THERMODYNAMICS;

AZO COMPOUNDS; CARBON; COMPUTER SIMULATION; FURANS; MODELS, CHEMICAL; NITROGEN; THERMODYNAMICS;

EID: 75249085766     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp909024u     Document Type: Article

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