From owner-chemistry@ccl.net Sun Jul 17 17:35:01 2005
From: "CCL" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL: W:Calculation of the electrost potential of a single surface in a crysta
Message-Id: <-28900-050717173059-26890-gJKokDZHWSap5rm98+rrIw]*[server.ccl.net>
X-Original-From: "Adrian  Villegas" <adriano]*[eps.mcgill.ca>


Sent to CCL by: "Adrian  Villegas" <adriano]*[eps.mcgill.ca>
Hey folks,
Has any of you calculated the electrostatic potential using (Gaussian 03)
for a particular face of a crystal?
I assume that I have to define a specific grid for that particular face
in order to distinguish it from the overall electrostatic potential estimated for the entire molecule.
How should I do this?

Thanks a lot

Adrian Villegas