Publication | Closed Access
Self-abstraction in aliphatic hydroperoxyl radicals
35
Citations
0
References
1998
Year
EngineeringProton-coupled Electron TransferOrganic ChemistryComputational ChemistryChemistryAliphatic Peroxyl RadicalsAliphatic Hydroperoxyl RadicalsRedox ChemistryBiochemistryRadical (Chemistry)Activation EnergiesPhysical ChemistryReactivity (Chemistry)CatalysisQuantum ChemistryFrequency FactorsNatural SciencesHydrogen BondChemical KineticsDeoxygenation
Estimates are made, by using BHandHLYP/6-311G** density functional molecular orbital theory, of the activation energies and frequency factors for a series of intramolecular hydrogen-atom abstraction reactions in aliphatic peroxyl radicals.