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Volumn 3, Issue 7, 2002, Pages 625-629
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Calculations of the rate constants for the hydrogen abstraction reactions C2H3 + CH4 → C2H4 + CH3 and C2H3 + C2H6 → C2H4 + C2H5
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Author keywords
Ab initio calculations; Abstraction reaction; Kinetics; Potential energy surface; Variational transition state theory
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Indexed keywords
ABSTRACTING;
ACTIVATION ENERGY;
CALCULATIONS;
ELECTRONIC STATES;
ENZYME KINETICS;
HYDROGEN;
POTENTIAL ENERGY;
POTENTIAL ENERGY SURFACES;
QUANTUM CHEMISTRY;
REACTION INTERMEDIATES;
AB INITIO CALCULATIONS;
ABSTRACTION REACTIONS;
FUTURE LABORATORY;
HYDROCARBON COMBUSTION;
HYDROGEN ABSTRACTION REACTION;
POTENTIAL BARRIERS;
VARIATIONAL TRANSITION STATE THEORY;
VINYL RADICALS;
RATE CONSTANTS;
BENZENE;
CARBON;
HYDROGEN;
METHANE;
METHYL GROUP;
AB INITIO CALCULATION;
ARTICLE;
CHEMICAL BINDING;
CHEMICAL REACTION;
CHEMICAL REACTION KINETICS;
ENERGY TRANSFER;
ENTHALPY;
REACTION ANALYSIS;
VIBRATION;
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EID: 0037008134
PISSN: 14394235
EISSN: None
Source Type: Journal
DOI: 10.1002/1439-7641(20020715)3:7<625::AID-CPHC625>3.0.CO;2-A Document Type: Article |
Times cited : (4)
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References (17)
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