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β‐Fragmentation of Tertiary Alkoxyl Radicals: G3(MP2)‐RAD and Natural Bond Orbital Investigations |
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| Authors: | Prof. Sylvain R. A. Marque Prof. Didier Siri |
| Affiliation: | UMR 5254‐LCP (Laboratoire Chimie Provence), Université de Provence case 521, Avenue Escadrille Normandie‐Niemen, 13397 MARSEILLE cedex 20 (France), Fax: (+33)?4‐91‐28‐87‐58 |
| Abstract: | |
| Keywords: | computational chemistry density functional calculations fragmentation reactions hyperconjugation radicals |