From chemistry-request.,at,.www.ccl.net  Fri Feb 19 07:24:12 1999
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From: Frank Schaper <hein -x- at -x- dg7.chemie.uni-konstanz.de>
To: CHEMISTRY&$at$&www.ccl.net
Subject: ZINDO/S parameters for Zr and Cl
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Dear CCLer's:

Does anybody know the parameters for ZINDO/S (Zerner's INDO/S)
for Zr and Cl ? The implementation in Hyperchem as well as the literature
I am aware of, have Zr and Cl parameters only optimized for geometry
optimization (ZINDO/1), but not for spectroscopy.

Or would anyone suggest a different semi-empirical method for the
caculation of electronic spectra of metallocenes ?

Thanks,

Summary of replies as usual !


Hein



-------------------------------------------------------------
Frank Schaper   -   Universitaet Konstanz

e-mail : Frank.Schaper(+ at +)uni-konstanz.de
         Frank.,at,.Schaper.com
s-mail : F. Schaper - Fakultaet fuer Chemie - Universitaet Konstanz
         D-78434 Konstanz - Germany