Tunneling effect and impact sensitivity of certain explosives

Journal of Hazardous Materials

Volumn 169, Issue 1-3, 2009, Pages 819-823

  Türker, Lemi ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

DFT calculations; Explosives; Impact sensitivity; Tunneling

Indexed keywords

B3LYP/6-31G; DFT CALCULATION; DFT CALCULATIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IMPACT SENSITIVITIES; IMPACT SENSITIVITY; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NITRO COMPOUNDS; OUTPUT DATA; REGRESSION EQUATION; TUNNELING; TUNNELING EFFECTS;

MOLECULAR MODELING; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; TUNNELING (EXCAVATION);

EXPLOSIVES;

AROMATIC NITRO COMPOUND; EXPLOSIVE;

CHEMICAL PROPERTY; EXPLOSIVE; MOLECULAR ANALYSIS; ORGANIC NITROGEN COMPOUND; QUANTUM MECHANICS;

ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY YIELD; EXPLOSION; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; QUANTUM CHEMISTRY;

ELECTRONS; EXPLOSIONS; EXPLOSIVE AGENTS; MODELS, MOLECULAR; NITROBENZENES;

EID: 67649743487     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.04.023     Document Type: Article

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