Hi
Try your calculations with ONIOM
(QM/QM). It may be helpful in your case.
Regards,
Morad
--- On
Tue, 3/2/10,
<owner-chemistry-,-ccl.net> wrote:
From:
<owner-chemistry-,-ccl.net>
Subject: CCL:G: G03:Different Charges on
Molecules
To: "El-Hendawy, Morad Metwally "
<m80elhendawy-,-yahoo.com>
Date: Tuesday, March 2, 2010, 4:11
PM
Dear CCL subscribers,
I have two
molecules near each other. How can I assign different amount of charges to each
molecule in Gaussian 03?
Thanks in
advance.
Regards,
AF
|
|