Subject: calibration of semiempirical MO calculations

From: "Mr HG Kruger" <[email-masked]>
Date: Tue, 23 Sep 1997 14:02:08 +0200 (SAST)

CCL list

I am looking for any references to the callibration of MO 
calculations using the known X-ray structure of  molecule.

I will summarise the responces if more people are interested.

Thanks for your time
Gert Kruger
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Dr HG Kruger, Dept Chemistry, University of Natal,
PO Box 18091, Dalbridge 4014, Durban, South Afica
Tel  +27-31-2602181   Fax  +27-31-2603091
Email  [email-masked] 
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