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Volumn 79, Issue 1-2, 2000, Pages 77-86
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Ab initio study of reactions between halogen atoms and various ]fuel molecules by Gaussian-2 theory
a
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Author keywords
Ab initio method; Activation energy; Auto reaction; Fuel; Halogen
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Indexed keywords
ACETYLENE;
AMMONIA;
BROMINE;
CHEMICAL ACTIVATION;
CHLORINE;
ETHANE;
ETHYLENE;
FLUORINE;
FUELS;
HYDROGEN;
METHANE;
SILANES;
GAUSSIAN-TWO THEORY;
MOLECULAR DYNAMICS;
ACETYLENE;
AMMONIA;
BROMINE;
CHLORINE;
ETHANE;
ETHYLENE;
FLUORINE;
FUEL;
HALOGEN;
HYDROGEN;
METHANE;
PHOSPHINE;
SILANE;
SILANE DERIVATIVE;
ARTICLE;
CALCULATION;
CHEMICAL BOND;
CHEMICAL REACTION;
ENERGY;
TEMPERATURE;
THEORY;
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EID: 0034353755
PISSN: 03043894
EISSN: None
Source Type: Journal
DOI: 10.1016/S0304-3894(00)00266-1 Document Type: Article |
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Times cited : (9)
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References (15)
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