CCL:G: Reaction Rate Software



 Sent to CCL by: "Gkourmpis, Thomas" [Thomas.Gkourmpis-
 -borealisgroup.com]
 Thanks a lot for all your replies and suggestions. I will have a look at the
 programs you recommended and proceed accordingly.
 Again thanks a lot for all your help. It's most appreciated
 Thomas Gkourmpis
 -----Original Message-----
 From: owner-chemistry+thomas.gkourmpis==borealisgroup.com*_*ccl.net [mailto:owner-chemistry+thomas.gkourmpis==borealisgroup.com*_*ccl.net] On
 Behalf Of Alavi, Saman Saman.Alavi() nrc-cnrc.gc.ca
 Sent: Wednesday, May 26, 2010 3:21 PM
 To: Gkourmpis, Thomas
 Subject: CCL:G: Reaction Rate Software
 Sent to CCL by: "Alavi, Saman" [Saman.Alavi]-[nrc-cnrc.gc.ca]
 Hi Thomas,
 You may want to try POLYRATE that was developed in the University of Minnesota.
 http://comp.chem.umn.edu/polyrate/
 You may need to set certain options in Gaussian runs in order for all the
 necessary data to be provided for POLYRATE.
 Saman
 ________________________________________
 > From: owner-chemistry+saman.alavi==nrc.ca]-[ccl.net
 [owner-chemistry+saman.alavi==nrc.ca]-[ccl.net] On Behalf Of Thomas Gkourmpis
 thomas.gkourmpis,+,borealisgroup.com [owner-chemistry]-[ccl.net]
 Sent: May 26, 2010 8:37 AM
 To: Alavi, Saman
 Subject: CCL:G: Reaction Rate Software
 Sent to CCL by: "Thomas  Gkourmpis"
 [thomas.gkourmpis:-:borealisgroup.com]
 Hello
 Can anybody suggest a user freindly program that can caclulate reaction rates
 from files (products, reactants and TS)that have been obtained from Gaussian?
 thanks a lot in advance
 Thomas Gkourmpis
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