Subject: ZINDO/S parameters for Zr and Cl

From: Frank Schaper <[email-masked]>
Date: Fri, 19 Feb 1999 13:27:12 +0100 (MET)

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 : [email-masked]
         [email-masked]
s-mail : F. Schaper - Fakultaet fuer Chemie - Universitaet Konstanz
         D-78434 Konstanz - Germany