CCL:G: How to visualize molecular orbitals from Gaussian output file?



 Sent to CCL by: =?ISO-8859-1?Q?Francisco_Nu=F1ez_Za?=rur
 [fnunez+/-klingon.uab.es]
 Dear Gegham, if you are a Guassian user, you probably have the GaussView
 utility software. This web:
 http://gaussian.com/g_tech/gv5ref/results.htm#surface
 provides a very easy
 tutorial for your purposes. Another softwares you can use are Molden or
 ChemCraft.
 Good luck !!
 Francisco Nuñez Zarur
 Unidad de Química-Física
 Edificio C, C7-149
 Departamento de Química
 Universidad Autónoma de Barcelona
 Bellaterra 08193.
 España
 Tel: +34 93 581 2173
 Fax: +34 93 581 2920
 ---------- Original Message -----------
 > From: "Gegham Galstyan gegham/azedat.fu-berlin.de"
 <owner-chemistry,,ccl.net>
 To: "Nunez Zarur, Francisco " <fnunez,,klingon.uab.es>
 Sent: Wed, 06 Jul 2011 15:48:36 +0200
 Subject: CCL:G: How to visualize molecular orbitals from Gaussian output	file?
 > Sent to CCL by: Gegham Galstyan [gegham[]zedat.fu-berlin.de]
 > Dear CCLers,
 >
 > do you know any good software for linux, mac or windows that can be used to
 visualize occupied molecular orbitals from gaussian03 output? I just want to
 quickly select the occupied pi-MOs among all MOs in a given molecule.
 > Thanks a lot beforehand for any help/suggestion.
 >
 > With best wishes,
 > Gegham
 >
 > ---
 > Gegham Galstyan
 > PhD student at AG Knapp
 > Macromolecular Modeling Group
 > Institute for Chemistry and Biochemistry
 > Free University of Berlin
 > Fabeckstr. 36a, 14195 Berlin, Germany
 > Tel. +49 30 838 53612
 > e-mail: gegham:+:chemie.fu-berlin.de------- End of Original Message -------