[AMBER] Looking for parameters for a metal-organic compound

From: Kat Russell <katjrussell.gmail.com>
Date: Thu, 2 Aug 2012 14:10:08 -0400

I am looking for the parameters for a cerium oxygen compound. I found
information on Organocerium chemistry, so I am assuming that someone else
has done work in this area. If you could help me locate the information, I
would greatly appreciate it. We have decided that there is no immediate
need to use QM parameters or do QM calculations, this is more of a
superficial simulation, but our current simulation programs are not meant
for organic molecules. (I will be grouping the ceria informations with an
animo acid)

Kat Russell
Alfred University
B.S. Glass Science and Engineering Candidate Dec 2012
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Received on Thu Aug 02 2012 - 11:30:03 PDT
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