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"CCL
Subscribers" <chemistry #at# ccl.net> writes:
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
Have
you looked at this paper - Christophe Chipot, Richard Jaffe, Bernard Maigret,
David A. Pearlman, and Peter A. Kollman, J. Am. Chem. Soc., 1996, 118
(45), pp 11217â11224
Cheers,
Flick
_______________
William F.
Coleman
Professor of
Chemistry
Wellesley College
Wellesley MA
02481
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