Subject: ESR Spectra

From: <[email-masked]>
Date: Thu, 10 Mar 1994 20:25:15 -0500 (EST)

We need to interpret the ESR spectrum of a highly twisted
olefinic system, C22H28.  I realize that planar pi systems can be 
approximated by noting the unpaired spin density in the SOMO.  Spin
contamination creates serious problems when attempting to calculate 
ESR spectra of other systems.  Does anyone have a reasonable suggestion?

Thanks.

Jim Gano
Department of Chemistry
University of Toledo
Toledo, Ohio 43606