calibration of semiempirical MO calculations
- From: "Mr HG Kruger" <kruger #*at*#
eng.und.ac.za>
- Organization: University of Natal
- Subject: calibration of semiempirical MO calculations
- 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 kruger #*at*# che.und.ac.za
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