Effects of defects on thermal decomposition of HMX via ReaxFF molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 115, Issue 2, 2011, Pages 278-287

  Zhou, Ting Ting ^a   Huang, Feng Lei ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; MOLECULAR DYNAMICS; PYROLYSIS; RATE CONSTANTS; REACTION KINETICS; VACANCIES;

ACTIVATION BARRIERS; BOND CLEAVAGES; BOND DISSOCIATION; CONDENSED PHASE; DECOMPOSITION MECHANISM; DECOMPOSITION PATHWAY; DEFECTIVE SYSTEMS; HIGH TEMPERATURE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR VACANCY; PERFECT CRYSTALS; PROMOTION EFFECTS; REACTION DYNAMICS; REACTION MECHANISM; RING FISSION; THERMAL DECOMPOSITIONS; VACANCY CONCENTRATION;

DYNAMICS;

EID: 78651448112     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp105805w     Document Type: Article

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