Subject: Re: CCL:ZINDO program

From: Rob Williams <[email-masked]>
Date: Fri, 12 Mar 1999 09:37:12 +0000

> I would like to calculate reliable adsorption energies and optimized
> geometries for small molecules on/in relatively large transition metal
> clusters (50-100 atoms). My main interest is in adsorbent-induced
> changes in metal skeleton. To my best knowledge the ZINDO program is the
> best choice for such calculations. May somebody here point me out how
> can I get it? Any suggestions on other semiempirical programs with
> parametrization for transition metals will be appreciated, as well.

Dear Irena,

ZINDO is available through one of our products, CAChe. You can
find more information on our web site at:

http://www.oxmol.co.uk/prods/cache/

CAChe can also includes interfaces to MOPAC, DGauss, and VAMP.

Best regards,
Rob

-- 

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Dr Rob Williams                            Tel: (+44) 1865 784600
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Oxford Molecular Limited                E-mail: [email-masked]
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From: Noppawan Tanpipat <[email-masked]>
Date: Sun, 14 Mar 1999 11:49:37 -0800

Dear Irena,

The recent version of Prof. Mike Zerner's ZINDO program is now available in
the Cerius2 environment from Molecular Simulations Inc.

More information can be found at 
   http://www.msi.com/solutions/products/cerius2/modules/zindo.html

Regards,

Noppawan Tanpipat

At 09:48 AM 3/12/99 +0200, Irena Efremenko wrote:
>Dear CCLers,
>Thanks in advance,
>Irena Efremenko
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*************************************
Noppawan Tanpipat, Ph.D.
Product Specialist, Quantum Chemistry
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121

Tel: (619) 799-5332
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