Transition Regions in the Cope Rearrangement of 1,5-Hexadiene and Its Cyano Derivatives
Substituent effects on the mechanism of the Cope rearrangement were studied by computing C 2 h (C s ) cuts through the potential energy surface (PES) for the reaction of 1,5-hexadiene and its di-, tri-, and tetracyano derivatives at the (U)B3LYP/6-31G* and (U)BPW91/6-31G* levels. The stabilization o...
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| Veröffentlicht in: | Journal of the American Chemical Society 2000-08, Vol.122 (30), p.7377-7385 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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