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Volumn 384, Issue 1-2, 2002, Pages 377-391
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Predicting heats of detonation using quantum mechanical calculations
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Author keywords
Density functional theory; GGA; Heat of detonation; Quantum mechanical
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Indexed keywords
CARBON DIOXIDE;
CARBON MONOXIDE;
EXPLOSIVE;
HYDROGEN;
NITROGEN;
WATER;
ARTICLE;
CALCULATION;
HEAT;
QUANTUM MECHANICS;
SOLID STATE;
THERMODYNAMICS;
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EID: 0037170260
PISSN: 00406031
EISSN: None
Source Type: Journal
DOI: 10.1016/S0040-6031(01)00796-1 Document Type: Article |
Times cited : (105)
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References (31)
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