From:	polowin # - at - # hyper.hyper.com (Joel Polowin)
Date:	Mon, 1 May 95 11:02:49 -0400
Subject:	Re: van der Walls complexes

> Date: Sun, 30 Apr 1995 18:17:02 -0400
> From: "G. Ravishanker" 
> Subject: CCL:van der Walls complexes
>
> 	I am posting this on behalf of some colleagues. Can someone point
> to any type of calculations (semi-empirical, gaussian, molecular
> mechanics) done on van der walls complexes? We tried doing semi-empirical
> calculations using HyperChem and most of the procedures required
> parameters for Ar, which were not available in the databases. Any help is
> appreciated.

I should point out that HyperChem *does* have semi-empirical parameters
for Ar for Extended Huckel, CNDO, and INDO.  But if Ar parameters have
been published for any of the other semi-empirical methods that meet our
usual criteria (refereed journals, etc.), we'd very likely be interested
in including them in our databases.

Regards,
Joel
 
------------
Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: polowin' at \`hyper.com

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