Subject: Re: CCL:Solvation in Gaussian within AM1

From: "F. J. Luque" <[email-masked]>
Date: Fri, 21 Dec 2001 11:01:17 +0100

Dear Xavier,

If you are interested in continuum calculations using the AM1 level, you can
use our MST continuum model parametrized for AM1 and PM3 Hamiltonians. It is
implemented in Mopac6.0 program. Simply contact us in order to send you a copy
of the code.

			F. J. Luque

Dear CCL-clients,
>
> Is there any way to similate solvent effects with
> Gaussian within the AM1 level of theory? I have been
> browsing the manual, and it seems that solvation is
> only available for HF methods and above. Any cue?
>
> Xavier Gironés
> Institute of Computational Chemistry
> University of Girona
> Girona, Spain
>
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>-- End of excerpt from Xavier Girones

-- 
F. J. Luque

Departament de Fisicoquimica      e-mail: [email-masked] 
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