Theoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzene

Journal of Computational Chemistry

Volumn 34, Issue 8, 2013, Pages 646-655

  Kovacevic, Goran ^a   Sabljic, Aleksandar ^a  

^a RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

halogenated benzenes; MP2 and G3 methods; particle in the box approximation; RRKM theory; tropospheric degradation

Indexed keywords

FLUOROBENZENE; G-3 CALCULATIONS; HALOGENATED BENZENES; HYDROXYL RADICALS; ISOMERIC DISTRIBUTIONS; MECHANISM AND KINETICS; MP2 AND G3 METHODS; OH RADICAL; PARTICLE-IN-THE-BOX APPROXIMATION; PREREACTION COMPLEXES; REACTION BARRIERS; REACTION PATHS; RICE-RAMSPERGER-KASSEL-MARCUS; RRKM THEORY; SECOND ORDERS; STATIONARY POINTS; TEMPERATURE RANGE; THEORETICAL STUDY; TRANSITION STATE;

BENZENE; ERRORS; EXPERIMENTS; FREE RADICALS;

RATE CONSTANTS;

FLUOROBENZENE; HYDROXYL RADICAL;

ARTICLE; CHEMISTRY; KINETICS;

FLUOROBENZENES; HYDROXYL RADICAL; KINETICS;

EID: 84874236070     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23175     Document Type: Article

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