CCL: energy decomposition

[psavita:crlindia.com]

 Sent to CCL by: psavita..crlindia.com

Hello Abhishek,

The Morokuma analysis works well with complexes of various kinds and is available with GAMESS U.S. that is freely downloadable.

All the best,

Savita Pundlik
Computational Materials Applied Research Group
Computational Research Laboratories Ltd.,
Taco House, Damle Path, Off Law College Road
Pune - 411004, India.

-----owner-chemistry+psavita==crlindia.com[#]ccl.net wrote: -----

To: "Pundlik, Savita Sunil " <psavita[#]crlindia.com>
From: "ABHISHEK SHAHI shahi.abhishek1984 a gmail.com" <owner-chemistry[#]ccl.net>
Sent by: owner-chemistry+psavita==crlindia.com[#]ccl.net
Date: 05/16/2011 10:25AM
Subject: CCL: energy decomposition

Dear All,

    I am looking for a free program for energy decomposition analysis of weakly interacted complexes (Like Molpro but its not free). Please suggest the same.

Thanks in advance.




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With regards;
 ABHISHEK SHAHI

Research Scholar
Inorganic and Physical Chemistry
Indian Institute Of Science
Bangalore-12
E-mail:                  shahi[#]ipc.iisc.ernet.in
                                shahi.abhishek1984[#]gmail.com