Autoxidation of cyclohexane: Conventional views challenged by theory and experiment

ChemPhysChem

Volumn 6, Issue 4, 2005, Pages 637-645

  Hermans, Ive ^a   Nguyen, Thanh Lam ^a   Jacobs, Pierre A ^a   Peeters, Jozef ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Ab initio calculations; Hydrocarbons; Oxidation; Radical reactions; Reaction mechanisms

Indexed keywords

ATOMS; CALCULATIONS; CYCLOHEXANE; FREE RADICALS; HYDROCARBONS; HYDROGEN; KETONES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS;

AB INITIO CALCULATIONS; CHAIN PROPAGATION; DETAILED REACTION MECHANISMS; HINDERED INTERNAL ROTATIONS; RADICAL REACTIONS; RATE COEFFICIENTS; REACTION MECHANISM; TRANSITION STATE THEORIES;

OXIDATION;

EID: 17744397135     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400211     Document Type: Article

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