Yadav, Veejendra K. ; Ganesh Babu, K. ; Balamurugan, R. (2003) Bicyclo [2.1.1] hexan-2-one as a new probe for the study of π-facial selectivity in nucleophilic additions: a comment Tetrahedron Letters, 44 (35). pp. 6617-6619. ISSN 0040-4039
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/S0040-4039(03)01681-2
Abstract
The cation complexation model performs better than the hydride model and is at par with the transition state model at the HF/6-31G∗ and B3LYP/6-31G∗ levels. Electrostatic effects that rely on the residual charges on C5 and C6 of the title substrate and that are believed to contribute to the overall performance of the hydride model also perform poorly.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 58252 |
| Deposited On: | 31 Aug 2011 06:55 |
| Last Modified: | 31 Aug 2011 06:55 |
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