Subject: generalized valence bond methods on gaussian 94

From: "MONICA C. CONCHA" <[email-masked]>
Date: Tue, 02 Feb 1999 11:58:29 -0600 (CST)

we are trying to do calculations on cr-cr for the case
 where the five 3d orbital are unpaired and localized and the bond 
 lengths are about 2.8-3.0 angstroms.  Firstly, how many orbitals should
 we use to desribe each pair and how should we define these orbitals.

                         thanks to any helpful advice,

Monica C. Concha
Research Associate
Dept. of Chemistry
University of New Orleans
in%"[email-masked]"