Talk:Hückel method

Untitled

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)

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)

Link to calculator

It seems to me that the external link is a dead one. May be it's a temporay network problem. Anyway I could not test the www.chem.swin.edu.au calculator. I would like to suggest to add links to any (or both) of these two Java applets that can be interesting too (both can be accessed freely). HuLiS http://www.hulis.free.fr which I am currently developping SHMO http://www.chem.ucalgary.ca/SHMO/ which was developped about 10 years ago by A. Rauk

Because I am concerned in HuLiS progresses, the WP policy does not allow me to add these links myself. Any comment about this? --Humbel (talk) 15:12, 2 September 2009 (UTC)

128.227.3.193 edits

If we allow all anon users to make this kind of edits (deletions) wikipedia would soon cease to exist. The offending lines have been enjoying consensus among editors for some time now. Deletion should be discussed in talk first. Any comments? V8rik (talk) 17:19, 7 April 2010 (UTC)

I agree. "alpha is an ionization energy, beta is the energy of the pi stabilization", the edit summary used by the IP editor, is incorrect. Alpha and beta are what we want them to be, essentially. They hid a multitude of sins. The great strength of Huckel theory is that they are not defined. --Bduke (Discussion) 21:55, 7 April 2010 (UTC)