CCL: Benzene Dimer Conformation



 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
 >
 >