Orientation of orbitals
- From: Mahesh Menon <mahesh_menon71/at/yahoo.com>
- Subject: Orientation of orbitals
- Date: Thu, 12 May 2005 02:55:26 -0700 (PDT)
Dear Colleagues:
I want to ask a question on orbitals obtained from Gaussion calculations.
But I am not sure whether I framed my question properly or
not.
I want to know the quantitative details of the orbitals obtained
from Gaussian calculations. I use Molden software to view the orbitals
(but, I am not very familiar with this). But I am interested in the "3D
contour" map so that, we can view the concentration of the electrons.
By this way, I want to see the extent by which the electrons sticks out in
z-direction.
Is this possible to do using Molden? If not, is there any other software
(free) by which I can view the orbitals/orientation of the orbitals.
Thanks in advance,
Sincerely,
Mahesh
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