From owner-chemistry@ccl.net Thu Dec 30 02:19:00 2010
From: "Alexander Bagaturyants bagaturyants|gmail.com" <owner-chemistry a server.ccl.net>
To: CCL
Subject: CCL: Benzene Dimer Conformation
Message-Id: <-43468-101230021517-17830-CmF2jIwuX2bb64/HLKUT0Q a server.ccl.net>
X-Original-From: "Alexander Bagaturyants" <bagaturyants(0)gmail.com>
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Date: Thu, 30 Dec 2010 10:15:07 +0300
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Sent to CCL by: "Alexander Bagaturyants" [bagaturyants . gmail.com]
Dear Eliac,
You may find the results for the benzene dimer in the recent paper Oliver
Marchetti and Hans-Joachim Werner, Phys. Chem. Chem. Phys., 2008, 10,
3400-3409. This paper also contains references to previous works.
Enjoy!
Happy New Year!

Sincerely yours,

Prof. Alexander A. Bagaturyants
Photochemistry Center
Russian Academy of Sciences
ul. Novatorov 7a, b. 1
Moscow 119421 Russia
Phone:  +7(495)9362588 (office)
        +7(916)5317022 (mobile)
Fax:    +7(495)9361255
e-mail: sasha_._photonics.ru 
        bagaturyants_._gmail.com

> -----Original Message-----
> From: owner-chemistry+sasha==photonics.ru_._ccl.net [mailto:owner-
> chemistry+sasha==photonics.ru_._ccl.net] On Behalf Of Eliac Brown
> Eliacbrown*|*yahoo.com
> Sent: Thursday, December 30, 2010 3:57 AM
> To: Багатурьянц Александр Александрович
> Subject: CCL: Benzene Dimer Conformation
> 
> 
> Sent to CCL by: "Eliac  Brown" [Eliacbrown%%yahoo.com]
> Dear All
> I tried couple of times to optimize the various conformations of
> benzene-
> benzene dimer (T-shape, displaced and sandwich), without any
> achievement. All
> of them went to the displaced conformations. I used MP2/6-311+G** level
> of
> optimization.
> So, I was wondering if you have the optimized structures of these
> conformations
> where I may start my calculation at. I would appreciate your help.
> Thanks
> Happy New Year to all
> Eliac
> 
>