Re: van der Walls complexes



 > Date: Sun, 30 Apr 1995 18:17:02 -0400
 > From: "G. Ravishanker" <ravishan ^at^
 swan.wcc.wesleyan.edu>
 > 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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