From:	<POLLARD %! at !% CCIT.ARIZONA.EDU>
Date:	Wed, 28 Jun 1995 10:55:18 -0700 (MST)
Subject:	cation calcs

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


Similar Messages
07/04/1995:  cation calcs
07/03/1995:  Re: CCL:cation calcs


Raw Message Text