The McClelland approximation and the distribution of π-electron molecular orbital energy levels
The total π-electron energy E of a conjugated hydrocarbon with n carbon atoms and m carbon-carbon bonds can be approximately calculated by means of the McClelland formula E ≈ g 2mn, where g is an empirical fitting constant, g ≈ 0.9. It was claimed that the good quality of the McClelland approximatio...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2007-01-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2007/0352-51390710967G.pdf |