Subject: Modelling of Ferrocene - Refs

From: "Oliver Hill" <[email-masked]>
Date: Fri, 26 Apr 1996 12:11:32 SAST-2

Dear CCLs

I wonder if someone can help me. I am looking for references on Ab 
Initio calculations of ferrocene. In particular I am looking for the 
original papers (if they exist) on RHF calculations which give iron 
to carbon distances that are too long. Also I am looking for papers 
on the solution of this problem by including correlation in the 
calculation.

We have run into this problem in calculations of iron alkene 
complexes and I would like to find the original references.

I would be most grateful to anyone who could help me out, and will of 
course post a summary if anyone is interested.

Oliver
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| Oliver Hill                        |                               |
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