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Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Contemporary Theoretical Procedures

✍ Scribed by Menon, Ambili S.; Wood, Geoffrey P. F.; Moran, Damian; Radom, Leo


Book ID
121008452
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
52 KB
Volume
111
Category
Article
ISSN
1089-5639

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## Abstract The performance of a large variety of contemporary density functional theory (DFT), double‐hybrid DFT, and high‐level Gaussian‐__n__ (G__n__) procedures has been evaluated for the calculation of bond dissociation energies (BDEs) and radical stabilization energies (RSEs) associated with