Ground-state spin of conjugated non-Kekulé molecules
Ground-state spin of conjugated non-Kekulé molecules
| dc.contributor.author | Radhakrishnan, T. P. | |
| dc.date.accessioned | 2022-03-27T08:54:58Z | |
| dc.date.available | 2022-03-27T08:54:58Z | |
| dc.date.issued | 1991-07-05 | |
| dc.description.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. © 1991. | |
| dc.identifier.citation | Chemical Physics Letters. v.181(5) | |
| dc.identifier.issn | 00092614 | |
| dc.identifier.uri | 10.1016/0009-2614(91)90380-R | |
| dc.identifier.uri | https://www.sciencedirect.com/science/article/abs/pii/000926149190380R | |
| dc.identifier.uri | https://dspace.uohyd.ac.in/handle/1/12075 | |
| dc.title | Ground-state spin of conjugated non-Kekulé molecules | |
| dc.type | Journal. Article | |
| dspace.entity.type |
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