CCL:G: Gaussian 03 Interface

 Sent to CCL by: "Johannes Hachmann" [jh388]-[cornell.edu]
 I personally like ArgusLab
 http://www.planaria-software.com/
 Best
 Johannes
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 Dipl.-Chem. Johannes Hachmann
 Chan Research Group
 140D Baker Laboratory
 Department of Chemistry and Chemical Biology
 Cornell University
 Ithaca, NY 14853-1301
 USA
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 ----- Original Message -----
 > From: "Andrew Slupe andrew.slupe:+:boisetechnology.org"
 <owner-chemistry .. ccl.net>
 To: "Hachmann, Johannes " <jh388 .. cornell.edu>
 Sent: Friday, September 29, 2006 1:36 PM
 Subject: CCL:G: Gaussian 03 Interface
 > Sent to CCL by: "Andrew  Slupe"
 [andrew.slupe##boisetechnology.org]
 > I am currently trying to determine which program will serve as an
 interface for submitting jobs to Gaussian 03.  Under consideration are
 Chem3D, HyperChem, GaussView, and Spartan.  It is hoped that the interface
 program will be able to perform a 'good' conformational distribution
 analysis and provide initial semi-empirical gas-phase energy minimization
 calculations.
 > It is also hoped that the interface program will be able to submit a
 structure to Gaussian for further optimization and solvation energy
 calculations.  The end goal of the study is to investigate the theoretical
 partitioning behavior of a number of compounds in a multisolvent, mixed
 phase system using the solvation energy results from Gaussian 03.  Any and
 all thoughts, suggestions, or opinions from the CCL community at large would
 be greatly appreciated.  Thank you all very much for your time,
 >
 > Andrew Slupe
 > Andrew.Slupe[#]boisetechnology.org>
 >
 >