Ab initio calculations of the effects of H+ and NH4+ on the initial decomposition of HMX

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 3, 2008, Pages 388-393

  Wang, Luoxin ^a,b   Tuo, Xinlin ^b   Yi, Changhai ^a   Wang, Xiaogong ^b  

^a WUHAN UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Ab initio calculation; Bond dissociation energy; Complex; HMX; Initial decomposition

Indexed keywords

AB INITIO CALCULATION; BOND DISSOCIATION ENERGY; COMPLEX; HMX; INITIAL DECOMPOSITION;

AMINE; AMMONIA; CARBON; CYCLOTETRAMETHYLENETETRANITRAMINE; NITROGEN; NITROGEN DIOXIDE; PROTON; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; COMPLEX FORMATION; DECOMPOSITION; DISSOCIATION; PRIORITY JOURNAL; THERMODYNAMICS;

AZOCINES; CARBON; HYDROGEN; MODELS, CHEMICAL; NITROGEN; QUATERNARY AMMONIUM COMPOUNDS; THERMODYNAMICS;

EID: 53549125526     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.06.007     Document Type: Article

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