A theoretical study of the kinetics of the benzylperoxy radical isomerization

Journal of Physical Chemistry A

Volumn 112, Issue 26, 2008, Pages 6045-6052

  Canneaux, Sébastien ^a   Louis, Florent ^a   Ribaucour, Marc ^a   Minetti, Rodolphe ^a   El Bakali, Abderrahman ^a   Pauwels, Jean François ^a  

^a PhysicoChimie des Processus de Combustion et de l'Atmosphere   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSITIONS; ISOMERIZATION; ISOMERS; REACTION KINETICS; SET THEORY;

AB-INITIO; BASIS SETS; CCSD; COUPLED-CLUSTER METHOD; ELECTRON EXCITATIONS; GEOMETRY OPTIMIZATIONS; ISOMERIZATION REACTIONS; RADICAL ISOMERIZATION; REACTION UNDER; SINGLE-POINT ENERGY CALCULATIONS; TEMPERATURE DEPENDENCES; TRANSITION STATE THEORIES; TUNNELING CORRECTION; VIBRATIONAL FREQUENCIES;

RATE CONSTANTS;

EID: 53349118544     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp711231c     Document Type: Article

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