CCL: DFT for pi-pi Interaction?
- From: "Dipankar Roy"
<dipankarroy{=}iitb.ac.in>
- Subject: CCL: DFT for pi-pi Interaction?
- Date: Tue, 14 Mar 2006 14:00:22 +0530 (IST)
Sent to CCL by: "Dipankar Roy" [dipankarroy{:}iitb.ac.in]
Hi,
Check the following articles:
Journal of Chemical Physics 2005, 123 ,10, pp. 1-10
Journal of Physical Chemistry A 2005, 109 ,19, pp. 4209-4212
Chemical Physics Letters 2004, 397 (1-3), pp. 56-61
Chemical Physics Letters 2004, 394 (4-6), pp. 334-338
Chemistry - A European Journal 2004, 10, 4, pp 3423-3429
> Sent to CCL by: "Sue L" [chsue2004 .. yahoo.com]
> Hi,
>
> Do you know any DFT method that describes well the pi-pi interaction of
> the aromatic system?
>
> Thank you very much.
>
> Sue>
>
>
>
***********************************************
Dipankar Roy
Graduate Student of Prof. R. B. Sunoj
Computational Chemistry Laboratoty
Dept. of Chemistry
Indian Institute of Technology, Bombay
India - 400076
Phone: +91-22-2576-4130(lab)
***********************************************
GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
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