Compressive shear reactive molecular dynamics studies indicating that cocrystals of TNT/CL-20 decrease sensitivity

Journal of Physical Chemistry C

Volumn 118, Issue 51, 2014, Pages 30202-30208

  Guo, Dezhou ^a,b   An, Qi ^b   Goddard, William A ^b   Zybin, Sergey V ^b   Huang, Fenglei ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC PRESSURE; CRYSTALS; ENERGY BARRIERS;

ADJACENT SLIP PLANES; ATOMISTIC LEVELS; EFFECTIVE MEASURES; MOLECULAR ORIGINS; REACTIVE MOLECULAR DYNAMICS; STERIC HINDRANCES; TEMPERATURE INCREASE RATE; TEMPERATURE RISE;

MOLECULAR DYNAMICS;

EID: 84920018662     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5093527     Document Type: Article

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