Theoretical investigation on the heats of formation and detonation performance in polydinitroaminocubanes

Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4217-4223

  Chi, Weijie ^a   Wang, Xiuyan ^b   Li, Butong ^a   Wu, Haishun ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

^b JILIN NORMAL UNIVERSITY   (China)

Author keywords

Cubane; DFT; Dinitroamino group; Heats of formation; High energy density compounds

Indexed keywords

1,3,5,7 TETRANITRO 1,3,5,7 TETRAAZACYCLOOCTANE; CUBANE DERIVATIVE; HEXAHYDRO 1,3,5 TRINITRO 1,3,5 TRIZINE; POLYDINITROAMINOCUBANE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; DETONATION; PHYSICAL PHENOMENA; PRESSURE; PRIORITY JOURNAL; VELOCITY;

AZOCINES; BRIDGED COMPOUNDS; EXPLOSIONS; EXPLOSIVE AGENTS; HOT TEMPERATURE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; TRIAZINES;

EID: 84867570614     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1430-3     Document Type: Article

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