Subject: cation calcs

From: <[email-masked]>
Date: Wed, 28 Jun 1995 10:55:18 -0700 (MST)

I was wondering what people thought about the most viable molecular orbital
approach to dealing with finding optimized geometries for +1 cations of
organic molecules.  I have been just using UHF theory.  Are there better
theories for dealing with these species?  John Pollard