DOI: 10.1039/A803344G
(Paper)
J. Chem. Soc., Faraday Trans., 1998, 94, 2303-2306
Self-abstraction in aliphatic hydroperoxyl radicals
(Note: The full text of this document is currently only available in the PDF Version )
Wai-To Chan, I. P. Hamilton and Huw O. Pritchard
Abstract
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.