Subject: Re: van der Walls complexes

From: [email-masked] (Joel Polowin)
Date: Mon, 1 May 95 11:02:49 -0400

> Date: Sun, 30 Apr 1995 18:17:02 -0400
> From: "G. Ravishanker" <[email-masked]>
> 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
 
------------
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