Theoretical design of energetic nitrogen-rich derivatives of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane

Journal of Molecular Modeling

Volumn 19, Issue 8, 2013, Pages 2945-2954

  Wu, Qiong ^a   Zhu, Weihua ^a   Xiao, Heming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

1,7 diamino 1,7 dinitrimino 2,4,6 trinitro 2,4,6 triazaheptane derivatives; Bond dissociation energy; Density functional theory; Detonation properties; Heats of formation

Indexed keywords

1,7 DIAMINO 1,7 DINITRIMINO 2,4, 6 TRINITRO 2,4,6 TRIAZAHEPTANE DERIVATIVE; AZO COMPOUND; NITROGEN; NITROGEN OXIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; EXPLOSION; HYDROGEN BOND; NEBULIZATION; PRIORITY JOURNAL; STATIC ELECTRICITY; SUBSTITUTION REACTION; THERMOSTABILITY;

EID: 84880818842     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1825-9     Document Type: Article

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