Re: CCL: software for the prediction of solubility To: chemistry~at~ccl.net

[Andreas Klamt <klamt~at~cosmologic.de>]

 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
>  <mailto:daniel.glossman~at~cimav.edu.mx>
>                         dglossman~at~prodigy.net.mx
>  <mailto: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
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