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Carbon‐Centered Radical Addition and β‐Scission Reactions: Modeling of Activation Energies and Pre‐exponential Factors |
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| Authors: | Maarten K. Sabbe Marie‐Françoise Reyniers Prof. Dr. Veronique Van Speybroeck Dr. Michel Waroquier Prof. Dr. Guy B. Marin Prof. Dr. |
| Affiliation: | 1. Laboratorium voor Chemische Technologie, Ghent University, Krijgslaan 281 S5, 9000 Gent (Belgium), Fax: (+32)?9‐264‐5824;2. Center for Molecular Modeling, Ghent University, Proeftuinstraat 86, 9000 Gent (Belgium) |
| Abstract: | |
| Keywords: | ab initio calculations gas‐phase reactions group additivity kinetics radical reactions |