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Inherent and transferable stabilization energies of carbon- and heteroatom-centred radicals on the same relative scale and their applications

Coote, Michelle; Lin, Ching-Yeh; Zavitsas, Andreas A.


Accurate G3(MP2)-RAD calculations are used to predict 264 R-H, R-CH 3, R-Cl and R-R bond dissociation energies for a wide-ranging test set of carbon and non-carbon centred R• radicals. The data are used to calculate a set of inherent and transferrable r

CollectionsANU Research Publications
Date published: 2014
Type: Journal article
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/C4CP00537F


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