A first principles density functional study of crystalline FOX-7 chemical decomposition process under external pressure

Propellants, Explosives, Pyrotechnics

Volumn 31, Issue 5, 2006, Pages 355-360

  Hu, Anguang ^a   Larade, Brian ^a   Abou Rachid, Hakima ^b   Lussier, Louis Simon ^b   Guo, Hong ^c  

^a INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

^b DEFENCE RESEARCH AND DEVELOPMENT CANADA   (Canada)

^c MCGILL UNIVERSITY   (Canada)

Author keywords

1,1 Diamino 2,2 dinitroethylene; Chemical decomposition; Crystalline FOX 7; DFT; First principles; Hydrogen transfer; SIESTA

Indexed keywords

DECOMPOSITION; EXPLOSIVES; HYDROGEN; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

1,1-DIAMINO-2,2-DINITROETHYLENE; CRYSTALLINE FOX-7; FIRST PRINCIPLES; HYDROGEN TRANSFER; SIESTA;

CRYSTAL STRUCTURE;

EID: 33750460905     PISSN: 07213115     EISSN: 15214087     Source Type: Journal    
DOI: 10.1002/prep.200600048     Document Type: Article

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