Subject: CCL: Sigma value for the Carbons in TMS

From: Lakshmi Devi Kesavan <[email-masked]>
Date: Mon, 27 Nov 2000 18:28:40 -0600 (CST)

I am doing NMR calculations using gaussian98 to calculate the
chemical shift of a molecule. I am using HF/6-31G* level to do the
calculation. I was wondering if I can get the sigma value for the carbons
in TMS from any database on the net or someplace so that I donot have to
calculate them myself. And it will be also be helpful if someone can point
out the availability of any database of NMR parameters calculated using
ab-initio methods.

	I shall summarize the responses.

Thanking you all in advance,

Devi Kesavan

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Lakshmi S Devi Kesavan 
Graduate Student 			1622, Carl Street,
Department of Chemistry			Apt # 307
207, Pleasant Street S.E, 		St. Paul, MN-55108
University of Minnesota 
Minneapolis, MN 55455-0431

Off # : 612-625-5325			
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