From jomal@chopin.dfq.ufrj.br  Wed Oct 13 16:51:13 1993
Date: Wed, 13 Oct 1993 16:51:13 GMT
From: jomal@dfq.ufrj.br (Joao Otavio M.A. Lins )
Message-Id: <9310131651.AA27271@dfq.ufrj.br>
To: chemistry@ccl.net
Subject: Summary on Iron Complexes w/ MM



Original post (Oct 1, 1993)
>
> 	Hi Netters!
> 
> 	A friend of mine has asked me about the possibility to use molecular
> mechanics  to perform  calculations on iron complexes.  As a second opinion,
> I'd like to hear your point of  view as well as where he'll find parameters/
> force fields available to perform such calculations. Are they reliable?
>

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Here's a reference you might be interested in:

T.N. Doman, C.R. Landis & B. Bosnich; Journal of the American Chemical
Society (1992), _114_, 7264-7272.

"Molecular Mechanics Force Fields for Linear Metallocenes."

Tom Doman 
tndoma@ddpi6.monsanto.com

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I have the following reference that gives parameters for Fe within MM2

M.G.B. Drew et al; J. Chem. Soc. Dalton Trans. (1986), 1081-1086.

G. Mercier
mercie@cumc.cornell.edu

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	Really thanks!
							Joao O.M.A. Lins