Radhakrishnan, T. P. (1991) Ground-state spin of conjugated non-Kekulé molecules Chemical Physics Letters, 181 (5). pp. 455-462. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(91)90380-R
Abstract
A simple rule is presented to predict the ground-state spin of π-conjugated non-Kekulé molecules and polymers. It is compared with previous rules, computational studies and experimental observations. Predictions of the new rule for novel systems of interest in the pursuit of organic ferromagnetism are tested using semi-empirical calculations.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 72543 |
| Deposited On: | 29 Nov 2011 04:09 |
| Last Modified: | 29 Nov 2011 04:09 |
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