Thermodynamic and kinetic analysis on the reaction of dimethyl sulfide radical with oxygen

International Journal of Quantum Chemistry

Volumn 112, Issue 8, 2012, Pages 1945-1958

  Jin, Fei ^a   Asatryan, Rubik ^a   Bozzelli, Joseph W ^a  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

dimethyl sulfide; kinetics; thermochemical properties

Indexed keywords

BETA-SCISSION; CBS-QB3; COLLISIONAL STABILIZATION; COMBUSTION PRO-CESS; COMPLETE BASIS SETS; DENSITY FUNCTIONALS; DIMETHYL SULFIDE; ENERGY DEPENDENT; ENTHALPIES OF FORMATION; GEOMETRIC PARAMETER; HYDROGEN ATOMS; HYDROGEN SHIFTS; HYDROGEN TRANSFER; HYDROPEROXIDE ISOMERS; HYDROPEROXIDES; INTERNAL ROTATIONS; ISODESMIC REACTIONS; LOW ENERGIES; MASTER EQUATIONS; METHYL RADICAL; OH RADICAL; PEROXY RADICALS; REACTION PATHS; REACTION SYSTEM; RING TRANSITION STATE; SULFUR ATOMS; THERMOCHEMICAL PROPERTIES; THERMODYNAMIC AND KINETIC ANALYSIS; TRANSITION STATE; VIBRATION FREQUENCY; WELL DEPTH;

ELECTRIC CIRCUIT BREAKERS; ENZYME KINETICS; FREE RADICALS; HYDROCARBONS; HYDROGEN; ISOMERS; KINETICS; RATE CONSTANTS; REACTION KINETICS; SULFUR;

REACTION INTERMEDIATES;

EID: 84858078773     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23171     Document Type: Article

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