Dear all,
I have been using Gaussian to calculate resp charges for molecules for
quite a time, but being right now in a banned-by-Gaussian institute, I was
wondering if I can use QCHEM or any other software to calculate the MEP
surfaces after QM optimization so that I can feed the MEP data to RESP to
calculate the charges. Any suggestion is much appreciated. Thanks in
advance.
Best regards,
Ilyas Yildirim, Ph.D.
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= Department of Chemistry - 2145 Sheridan Road =
= Northwestern University - Evanston, IL 60208 =
= Ryan Hall #4035 (Nano Building) - Ph.: (847)467-4986 =
=
http://www.pas.rochester.edu/~yildirim/ =
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Received on Fri Sep 10 2010 - 18:00:03 PDT
