CCL:G: MEP maps
- From: "Eliac Brown" <Eliacbrown_-_yahoo.com>
- Subject: CCL:G: MEP maps
- Date: Sun, 2 Jan 2011 22:11:29 -0500
Sent to CCL by: "Eliac Brown" [Eliacbrown{:}yahoo.com]
Dear All
I calculated the MEP map of a small molecule using G03. In the map
visualization using Gaussview3, I set the scale from -4 to -3 to get a multi-
colour image (ranging from deep red to deep blue). Setting the scale from -4 to
-3 without crossing over the zero worries me, does it mean whole the molecule
has a negative electrostatic potential? Can I compare the MEP maps scaled at
various ranges and calculated at different levels?
How can I create the MEP using MOPAC 2009 and which program can be used to
visualize the map?
Thanks
Eliac