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Hydrocarbon bond dissociation enthalpies: from substituted aromatics to large polyaromatics. |
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| Authors: | Veronique Van Speybroeck Guy B Marin Michel Waroquier |
| Affiliation: | Center for Molecular Modeling, Laboratory of Theoretical Physics Ghent University, Proeftuinstraat 86, 9000 Ghent, Belgium. veronique.vanspeybroeck@UGent.be |
| Abstract: | |
| Keywords: | aromatic substitution bond energy density functional calculations hydrocarbons radicals |