Subject: Transition metal pi-complexes calculation request

From: [email-masked] (Dr. Serge V. Kukharenko)
Date: Tue, 23 Nov 93 19:10:59 +0300 (MSK)

Dear Netters:

Does anybody know about possibility to perform quantum
chemical calculation (HOMO/LUMO energy, molecular dynamics,
etc.) of transition metal sandwich and half-sandwich
pi-complexes (like ferrocene or cymantrene) with condensed
polyaromatic ligands (e.g. naphtalene, indenyl, fluorenyl)?
I realise that it is very complicated problem. Furthermore,
I have only a minor experience with calculation (PC Model and
HyperChem only). May be somebody is interested in performance
of above calculations and scientific collaboration with me?
I've obtained very interesting and unusual experimental results
on chemistry of the titled complexes and can send it upon
your request.

Please respond to me via e-mail, I can summarize answers to the
list.

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Dr. Serge Kukharenko
Department of Kinetics and Catalysis
Institute of Chemical Physics in Chernogolovka
Russia Academy of Science
Moscow Region
Chernogolovka 142432
Russia
e-mail: [email-masked]
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