From:	polowin (- at -) hyper.hyper.com (Joel Polowin)
Date:	Tue, 27 Jun 95 17:11:12 -0400
Subject:	Re: how can I calculate tin complexes?

> Date: Tue, 27 Jun 1995 14:49:50 -0300
> From: Nivan Bezerra <21NBCJ.,at,.NPD.UFPE.BR>
>
> 	I would like any information about method, basis set or program for
> the calculation of large tin complexes.

The MM2 molecular-mechanics force field includes some parameters for
tin.  Of the semi-empirical methods implemented in our software, we supply
parameters for tin only for PM3.

Our HyperChem software includes an enhanced MM2 parameter set and the PM3
semi-empirical method.  The new version, Release 4.5, includes ab initio
calculations, and of the basis set files we supply, there are tin parameters
in the following: STO-2G, STO-2G*, STO-3G, STO-3G*, STO-4G, STO-4G*,
STO-5G, STO-5G*, STO-6G, and STO-6G*.  Further information is available
on request.

Regards,
Joel

------------
Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: polowin %! at !% hyper.com

Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
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