Re: CCL:PCM solvent model!
- From: "Dr. Andreas Klamt" <andreas.klamt-0at0-cosmologic.de>
- Organization: COSMOlogic GmbH&CoKG
- Subject: Re: CCL:PCM solvent model!
- Date: Mon, 15 Apr 2002 14:08:47 +0200
General solvents and mixtures (at almost arbitrary temperature) can be
handled with COSMO-RS, based on C-PCM calculations with
Gaussian98_Axx (xx >10). But you will need our COSMOtherm as an additional
tool to do the thermodynamics for these solvents.
Regards
Andreas Klamt
> thanh thuat schrieb:
>
> dear all,
> i have a problem with the solvent model in Gaussian 98W:
> i can not add the other solvent (ex:cyclopentanon solvent) which do not
have the ID in Gaussian 98.
> i try all method but there is no result.
> please help me!
--
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Dr. Andreas Klamt
COSMOlogic GmbH&CoKG
Burscheider Str. 515
51381 Leverkusen, Germany
Tel.: 49-2171-73168-1 Fax: ...-9
e-mail: andreas.klamt-0at0-cosmologic.de
web: www.cosmologic.de
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