Subject: organic radicals with 40 heavy atoms or less

From: <[email-masked]>
Date: Sun, 26 Jan 1997 15:10:10 -0600 (CST)

I have some experience with PC Model but that is about it.

Please send suggestions as to what programs would be appropriate to calculate
the energies and geometries of organic radicals having 40 heavy atoms or less.

We will be looking at molecules where the unpaired electron is on a carbon
atom of a pi system.

I would like to estimate the steric factor for bimolecular reactions
(dimerization) of these molecules.

Please reply to:

[email-masked]

thanks,
Rudy Gostowski
Department of Chemistry
Austin Peay State University