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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,
Collections | ANU Research Publications |
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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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