Talk:Hückel method
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What sort of clean-up or attention does it need? It needs more information, but it is a perfectly clear stub. --Bduke 05:53, 26 April 2006 (UTC)
[edit] Recent expansion
This improves the article considerably. Well done indeed. I have made a small change. It is not correct that the pi electrons are lower in energy than the sigma. In benzene, for example with ab initio calculations, the degenerate pi is the HOMO, but the next one down is a sigma. Huckel just uses sigma-pi separability which is based on symmetry considerations, not energy considerations. BTW, I am the author of most of the external link to Hückel method @ chem.swin.edu.au and in particular the Huckel code that allows people to do simple Huckel calculations. Do you think we should make the link to the actual calculator page more explicit? At some point I may want to move that link to another server here in Melbourne but the Swinburne one is fine and the person who runs the server there (also an author of those comp chem materials) knows there is a link to it here on WP. --Bduke 22:13, 9 March 2007 (UTC)
- Thanks for the correction made and yes the calculator should be included. The current article is only lacking the explanation for spin density and free valence. V8rik 22:33, 10 March 2007 (UTC)
