Abstract
Ab initio molecular orbital calculations on the intramolecular rearrangements of the methylperoxyl and ethylperoxyl radicals are reported, together with transition-state structures and vibration frequencies for the ethylperoxyl reactions. Estimated equilibrium constants for the formation of two methylperoxyl isomers, CH(OH)2 and CH2(OH)O, are also reported.
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More From: Journal of the Chemical Society, Faraday Transactions
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