Density functional calculations for a high energy density compound of formula C6H6-n(NO2)n

Journal of Molecular Modeling

Volumn 18, Issue 8, 2012, Pages 3695-3704

  Chi, Wei Jie ^a   Li, Lu Lin ^a   Li, Bu Tong ^a   Wu, Hai Shun ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Heats of formation; High energy density compound; Polynitroprismanes

Indexed keywords

NITROGEN DERIVATIVE; POLYNITROPRISMANE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMBUSTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY; ENTHALPY; HEAT; PRIORITY JOURNAL; SYNTHESIS;

EXPLOSIVE AGENTS; NITROSO COMPOUNDS; POLYCYCLIC COMPOUNDS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84864674284     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1367-6     Document Type: Article

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