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An assessment of theoretical procedures for the calculation of reliable radical stabilization energies

Parkinson, Christopher; Mayer, R. John; Radom, Leo

Description

The performance of a variety of theoretical methods in computing stabilization energies of the substituted methyl and vinyl radicals•CH2F,•CH2CN,•CH2CH=CH2,•CH2CH=O, CH2=C•F and CH2=C•CN is examined. The influence of electron correlation (UHF,

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
URI: http://hdl.handle.net/1885/93809
Source: Journal of the Chemical Society, Perkin Transactions 2

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