Structure, physicochemical properties, and density functional theory calculation of high-energy-density materials constructed with intermolecular interaction: Nitro group charge determines sensitivity

Journal of Physical Chemistry C

Volumn 118, Issue 41, 2014, Pages 23487-23498

  Liu, Xiangyu ^a,b   Su, Zhiyong ^a   Ji, Wenxin ^b   Chen, Sanping ^a   Wei, Qing ^a   Xie, Gang ^a   Yang, Xuwu ^a   Gao, Shengli ^a  

^a NORTHWEST UNIVERSITY   (China)

^b NINGXIA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION KNOCK; DETONATION; GROUP THEORY; PHYSICOCHEMICAL PROPERTIES; SUPRAMOLECULAR CHEMISTRY;

4-AMINO-1 ,2 ,4-TRIAZOLE; DETERMINATION OF CONSTANTS; DETONATION PERFORMANCE; HIGH ENERGY DENSITY MATERIALS; INTERMOLECULAR INTERACTIONS; STANDARD MOLAR ENTHALPIES OF FORMATIONS; SUPRAMOLECULAR INTERACTIONS; THERMOKINETIC PARAMETERS;

DENSITY FUNCTIONAL THEORY;

EID: 84908077778     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5062418     Document Type: Article

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