Radhakrishnan, T. P. (1991) Ground state spin of some molecules with unusual hückel molecular orbital degeneracy Tetrahedron Letters, 32 (35). pp. 4601-4602. ISSN 0040-4039
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0040-4039(91)80050-G
Abstract
Prediction of the ground state spin of a special class of non-alternant, non-Kekulé molecules, using a new rule, supported by semi-empirical AMI/CI calculations is found to contradict Hückel molecular orbital result. The ground state spin of the following systems is predicted using a new rule and semi-empirical calculations.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 72545 |
| Deposited On: | 29 Nov 2011 04:09 |
| Last Modified: | 29 Nov 2011 04:09 |
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