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 SQRT(2mr), where g is an empirical fitting constant, g ≈ 0.9. It was claimed that the good quality of the McClelland approxi...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2007-10-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.shd.org.yu/JSCS/Vol72/No10/JSCS_V72_No10-06.pdf |