CCL: Benzene Dimer Conformation

 Sent to CCL by: Marcel Swart [marcel.swart+*+icrea.cat]
 If it is just these three conformations, have a look at:
 J. Phys. Chem. A 2004, 108, 10200-10207
 Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer:
 Sandwich, T-Shaped, and Parallel-Displaced Configurations
 Mutasem Omar Sinnokrot and C. David Sherrill
 http://dx.doi.org/10.1021/jp0469517
 On 30 Dec 2010, at 01:56, Eliac Brown Eliacbrown*|*yahoo.com wrote:
 > 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.
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 dr. Marcel Swart
 ICREA Research Professor at
 Institut de Química Computacional
 Universitat de Girona
 Facultat de Ciències
 Campus Montilivi
 17071 Girona
 Catalunya (Spain)
 tel
 +34-972-418861
 fax
 +34-972-418356
 e-mail
 marcel.swart]_[icrea.cat
 marcel.swart]_[udg.edu
 web
 http://www.marcelswart.eu
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