Disjoint nonclassical hydrocarbons have very unstable lowest-lying singlet states: a PM3 study
Earlier workers have suggested that disjoint hydrocarbons have nearly-degenerate lowest-lying singlet and triplet states while non-disjoint (or joint) hydrocarbons should be ground-state triplets. PM3 results for an appropriate selection of alternant hydrocarbons are inconsistent with that generaliz...
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
2001-12-01
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| Series: | Química Nova |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422001000600002 |