From chemistry-request&$at$&ccl.net Wed Jul 6 14:17:55 2005 Received: from mrbusi2.netcologne.de (mrbusi2.netcologne.de [194.8.194.214]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j66IHoWp023215 for ; Wed, 6 Jul 2005 14:17:51 -0400 Received: from cosmologic.de (xdsl-213-196-200-142.netcologne.de [213.196.200.142]) by mrbusi2.netcologne.de (Postfix) with ESMTP id 4586024004A for ; Wed, 6 Jul 2005 20:17:49 +0200 (CEST) Message-ID: <42CC204E.7010503~at~cosmologic.de> Date: Wed, 06 Jul 2005 20:17:50 +0200 From: Andreas Klamt User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.6b) Gecko/20031205 Thunderbird/0.4 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry~at~ccl.net Subject: Re: CCL: software for the prediction of solubility To: chemistry~at~ccl.net References: In-Reply-To: Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit X-Spam-Status: No, score=1.5 required=5.0 tests=ADDRESS_IN_SUBJECT, FORGED_RCVD_HELO autolearn=no version=3.0.4 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 3.0.4 (2005-06-05) on server.ccl.net Dear Daniel, I dare to say, that our COSMOtherm software, which is a combination of the quantum chemical dielectric solvation model COSMO and a very efficient statistical thermodynamics of interacting surfaces is the most general and efficient software for this task. We and aour customers have done a lot of solvent screening projects of the kind you described. We can treat almost any solvent, including mixtures and ionic liquids, and even can include temperature dependence, if required. For more details see all the publications listed on www.cosmologic.de/publications.html I hope you will like it Andreas Dr. Daniel Glossman-Mitnik wrote: > > > > > Dear netters: > > > > I would like to receive advice on software that can be used to predict > the solubility > > of a substance in different solvents (not necessarily water) or a mix > of solvents. > > My task is: I have a sustance X and I want to find the best solvent > (or a mix) to > > disolve it. > > > > Thanks in advance, > > > > Daniel > > > > *********************************************************************** > > Dr. Daniel Glossman-Mitnik > > Grupo NANOCOSMO - CIMAV > > Nanotecnologma Computacional, Simulacisn y Modelado Molecular > > Miguel de Cervantes 120 - Comp. Ind. Chihuahua > > Chihuahua, Chih. 31109 - MEXICO > > Tel.: (52) 614 4391151 FAX: (52) 614 4391130 > > Part.: (52) 614 4987113 Cel.: (52) 614 1635322 > > E-mail: daniel.glossman~at~cimav.edu.mx > > > dglossman~at~prodigy.net.mx > > > *********************************************************************** > > > -- ----------------------------------------------------------------------------- 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~at~cosmologic.de web: www.cosmologic.de ----------------------------------------------------------------------------- COSMOlogic Your Competent Partner for Computational Chemistry and Fluid Thermodynamics -----------------------------------------------------------------------------