Unexpected primary reactions for thermolysis of 1,1-diamino-2,2-dinitroethylene (FOX-7) revealed by ab Initio calculations

Journal of Physical Chemistry A

Volumn 118, Issue 36, 2014, Pages 8002-8008

  Kiselev, Vitaly G ^a,b   Gritsan, Nina P ^c  

^a INSTITUTE OF CHEMICAL KINETICS AND COMBUSTION   (Russian Federation)

^b NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL ACTIVATION; CYCLIZATION; ISOMERIZATION; ISOMERS;

AB INITIO CALCULATIONS; ACTIVATION BARRIERS; DECOMPOSITION PATHWAY; INSENSITIVE EXPLOSIVES; INTRAMOLECULAR CYCLIZATIONS; ISOMERIZATION REACTION; TRIAMINOTRINITROBENZENE; UNSATURATED HYDROCARBONS;

CALCULATIONS;

EID: 84907879342     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp507102x     Document Type: Article

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