Subject: Gaussian 03 UFF Modification for Square planar Rhodium

From: Nhat Le Minh <nworld3d*at*yahoo.com>
Date: Wed, 25 May 2005 12:16:47 -0700 (PDT)

Dear CCL-subscribers:

My name is Alex Le, a student from Lake Forest College.  I am currently doing a summer research in
organometallics involving modeling a square planar Rhodium as a center atom in a hydrofomylation
catalyst.  We are trying to modify the UFF force field in Gaussian 03 to adopt the Rh4+1 square
planar and so far there has been very little progress.  I realy surprise that there is so little
information available on making such modification for UFF.  I just wonder if there is anyone who
has successfully modifed the UFF parameters in Gaussian and he or she can share the experience.

At the college Gaussian 98 and 03 are runnin on SGIs and Apple G4s.  I only have the source code
for Gaussian 98 for code-modification and recompilation.

With best regards,

Alex

Nhat Minh Le (Alex Le)
Delta Chi - Brotherhood of a Lifetime
nworld3d*at*yahoo.com
www.247lfc.com | www.sr3d.net

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