Theoretical study on the trans-cis isomerization and initial decomposition of energetic azofurazan and azoxyfurazan

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 2, 2009, Pages 81-87

  Wang, Luoxin ^a   Tuo, Xinlin ^b   Yi, Changhai ^a   Zou, Hantao ^a   Xu, Jie ^a   Xu, Weilin ^a  

^a WUHAN UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Azofurazan; Azoxyfurazan; Bond dissociation energy; Energetic material; Initial decomposition; Trans cis isomerizaiton

Indexed keywords

AZOFURAZAN; AZOXYFURAZAN; BOND DISSOCIATION ENERGY; ENERGETIC MATERIAL; INITIAL DECOMPOSITION; TRANS-CIS ISOMERIZAITON;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON TRANSITIONS; ISOMERIZATION; PYROLYSIS; REACTION KINETICS;

ISOMERS;

3,3' DIAMINO 4,4' AZOFURAZAN; 3,3' DIAMINO 4,4' AZOXYFURAZAN; 3,3' DINITRO 4,4' AXOZYFURAZAN; 3,3' DINITRO 4,4' AZOFURAZAN; AZOFURAZAN; AZOXYFURAZAN; FURAZAN DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CIS TRANS ISOMERISM; DENSITY FUNCTIONAL THEORY; ISOMERIZATION; OXIDATION; PRIORITY JOURNAL;

ISOMERISM; MODELS, THEORETICAL; MOLECULAR STRUCTURE; OXADIAZOLES; THERMODYNAMICS;

EID: 70349303471     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.04.007     Document Type: Article

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