Subject: NICS chemical shifts

From: Gary Breton <[email-masked]>
Date: Fri, 31 Aug 2001 10:03:37 -0400

Hello all,

A straightforward and practical question:  I am interested in computing
Nucleus Independent Chemical Shifts (NICS) on some potentially aromatic ring
systems via the exquisite method described by Schleyer in several articles
(a recent example: Organic Letters 2001, 2465).  Am I able to do this
utilizing Gaussian98W via the GaussView GUI (both of which I intend to buy
soon)?  

Furthermore, is this method described in a "practical manner" in the manuals
or somewhere else? (i.e., can I figure it out after becoming better
acquainted with Gaussian, or will I look forward to becoming hopelessly
lost??  I currently use Spartan and Hyperchem for computational work and
have no previous experience with Gaussian).

Thanks for suggestions!

Gary W. Breton
Department of Chemistry
Berry College
PO Box 495016
Mount Berry, GA 30149

"There's a light at the
end of the tunnel, but it
may be an oncoming train"