From owner-chemistry&$at$&ccl.net Tue Apr 7 11:15:01 2009 From: "Andreas Klamt klamt.:.cosmologic.de" To: CCL Subject: CCL: Computer Program for Enumeration of Kekule Structures. Message-Id: <-39027-090407105615-4432-2MWc9WhrMRRngvTCuTsHKA++server.ccl.net> X-Original-From: Andreas Klamt Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-15; format=flowed Date: Tue, 07 Apr 2009 16:56:01 +0200 MIME-Version: 1.0 Sent to CCL by: Andreas Klamt [klamt],[cosmologic.de] Dear Rashid, indeed our COSMOfrag program does this task as a by product during the preparation of the fragmentation into fragmets from similar structures. But COSMOfrag is not for free. If you just need it for one or a small number of compounds, I can do it for you. Best regards Andreas Zahid Rashid Z.Rashid,,students.uu.nl schrieb: > Sent to CCL by: "Zahid Rashid" [Z.Rashid[]students.uu.nl] > Dear C.C. Researchers, > I am looking for a computer program that can automatically generate all possible Kekule structures for > a given polycyclic (alternant) aromatic hydrocarbon. If anybody have or know about such a program > please let me know. Thanks. > > Z.Rashid(-)students.uu.nl> > > > > -- -------------------------------------------------------------------------- Dr. habil. Andreas Klamt COSMOlogic GmbH&CoKG Burscheider Str. 515 51381 Leverkusen, Germany Tel.: +49-2171-73168-1 Fax: +49-2171-73168-9 e-mail: klamt[*]cosmologic.de web: www.cosmologic.de -------------------------------------------------------------------------- COSMOlogic Your Competent Partner for Computational Chemistry and Fluid Thermodynamics --------------------------------------------------------------------------