Theoretical calculation and molecular design for high explosives: Theoretical study on polynitropyrazines and their N-oxides

Propellants, Explosives, Pyrotechnics

Volumn 29, Issue 4, 2004, Pages 231-235

  Li, Jinshan ^a   Huang, Yigang ^a   Dong, Haishan ^a  

^a RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Density Functional B3LYP Method; Detonation Velocity; Enthalpy of formation; Polynitropyrazine; Polynitropyrazine 1 oxide

Indexed keywords

CALCULATIONS; DETONATION; ENTHALPY; EXPLOSIONS; NITROGEN OXIDES; OPTIMIZATION; POLYCYCLIC AROMATIC HYDROCARBONS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL B3LYP METHOD; ENTHALPY OF FORMATION; MOLECULAR DESIGN; POLYNITROPYRAZINE-1 OXIDES; POLYNITROPYRAZINES;

EXPLOSIVES;

EID: 4644238128     PISSN: 07213115     EISSN: None     Source Type: Journal    
DOI: 10.1002/prep.200400052     Document Type: Article

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