<b>Singlet-triplet gap studies on aryl-cyclopentadienylidenes: indirect electronic effects</b>
Energy gaps, ΔX<sub>S–t</sub> (X = E, H and G) (∆X<sub>S–t</sub> = X(singlet)-X(triplet)) between singlet (s) and triplet (t) states of aryl substituted cyclopentadienylidenes, Ar-C<sub>4</sub>H<sub>3</sub>C, were calculated at B3LYP/6-311++G**. Electr...
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| Format: | Article |
| Language: | English |
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Chemical Society of Ethiopia
2010-08-01
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| Series: | Bulletin of the Chemical Society of Ethiopia |
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| Online Access: | http://ajol.info/index.php/bcse/article/view/54768 |