From chemistry-request@ccl.net Thu May 12 06:55:32 2005
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Date: Thu, 12 May 2005 02:55:26 -0700 (PDT)
From: Mahesh Menon <mahesh_menon71/at/yahoo.com>
Subject: Orientation of orbitals
To: chemistry/at/ccl.net
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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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<DIV>Dear Colleagues:</DIV>
<DIV>&nbsp;</DIV>
<DIV>I want to ask a question on orbitals obtained from Gaussion calculations. But I am not sure whether&nbsp;I framed&nbsp;my&nbsp;question&nbsp;properly or not.<BR><BR>I want to know the quantitative details of the orbitals obtained from Gaussian calculations.&nbsp;I use Molden software to view the orbitals (but, I am not very familiar with this). But I am interested in the "3D <EM>contour</EM>" 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. </DIV>
<DIV>&nbsp;</DIV>
<DIV>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.</DIV>
<DIV>&nbsp;</DIV>
<DIV>Thanks in advance,</DIV>
<DIV>&nbsp;</DIV>
<DIV>Sincerely,</DIV>
<DIV>Mahesh<BR><BR><BR></DIV><p>__________________________________________________<br>Do You Yahoo!?<br>Tired of spam?  Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com 
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