Subject: Re: CCL:Solvation in Gaussian within AM1

From: "Michael D. Bartberger" <[email-masked]>
Date: Thu, 20 Dec 2001 14:21:56 -0800 (PST)

Hello Xavier:

If you are interested in solvation energies computed from semi-empirical
based wavefunctions, you may wish to look into the AMSOL package
developed by Cramer and coworkers at the University of Minnesota.

Regards,
-Mike

On Thu, 20 Dec 2001, Xavier Girones wrote:

> 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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