Subject: Metallocomplexes geomtry optimization

From: "Valentin P Ananikov" <[email-masked]>
Date: Fri, 26 Jan 96 16:15:16 +0300

Dear Netter,
            I am looking for some programs(for IBM PC) for geometry 
optimization of  metallocomplexes with 'sigma' and 'pi' bonds:

            - [Me-CH=CHR(Hal)n]  Hal=Cl,I; Me= platinum group metal
              (sigma vinyl complexes.)
            - [Me- - - C=C-C=C(Hal)n] ( pi complexes of platinum group 
              metals with  substituted dienes).

            Also I will be thankful to you if you let me know the 
references that contain X-ray data and Quantum chemistry results for  
complexes of that kind.

Many thanks in advance.

Regards,
Valentin P.Avanikov

Institute of Physical Organic & Coal Chemistry
R. Luxembourg str.70
Ukraine

e-mail: [email-masked]