Subject: Huckels rule and the identification of aromatic systems

From: Jan Pedersen <[email-masked]>
Date: Fri, 13 Aug 1999 14:23:05 +0200 (CEST)

Greetings CCLers,

We are at the moment working on a project where we need to be able to
identify the largest aromatic system in a given 2D structure.

I was wandering if anybody should be willing to share their solution and
implementation of Huckels rule for aromaticity. Is there a smart way of
identifying these systems ?

I will post a digest of the answers later.

			Regards

				-- Jan

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			Dr. Jan T. Pedersen	
			Head, Computational Chemistry and 
                              Chemical Informatics
			Acadia Pharmaceuticals
			Fabriksparken 58
			2600 Glostrup, DENMARK
			email : [email-masked]
			phone : +45 43 29 30 05
			FAX : +45 43 29 30 30
			Lore : http://www.acadia-pharm.com
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