CCL: AIM Problem
- From: "Mahmoud A. A. Ibrahim"
<m.ibrahim()compchem.net>
- Subject: CCL: AIM Problem
- Date: Tue, 21 Dec 2010 13:48:41 +0000
Sent to CCL by: "Mahmoud A. A. Ibrahim" [m.ibrahim,,compchem.net]
Dear Abhishek
I am afraid the BCP of HCl should be detected by AIM2000 using the
default setting.
Could you let us know how you generated the wfn file? what basis set
and method you used?
If you like you could send me the wfn on my email for testing it,
including the route section used for wfn generation.
Merry Christmas
M. Ibrahim
On Tue, Dec 21, 2010 at 3:51 AM, ABHISHEK SHAHI
shahi.abhishek1984^gmail.com <owner-chemistry_+_ccl.net> wrote:
> Dear All,
>
> I am doing AIM analysis of weakly bounded complexes using
AIM2000
> program.Here, Some of the bond critical points are missing ( like BCP of
HCl
> molecule). What modification should i make in default setting of program?
> Please help for same. Thanking a lot.
>
>
>
>
> With regards;
> ABHISHEK SHAHI
>
> Research Scholar
> Inorganic and Physical Chemistry
> Indian Institute Of Science
> Bangalore-12
>
>
--
Mahmoud A. A.
Ibrahim
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