From chemistry-request%!at!%ccl.net Wed Nov 19 05:54:34 2003
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Date: Wed, 19 Nov 2003 11:54:01 +0100 (MET)
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From: Giju Kalathingal <gkalathi..at..vub.ac.be>
To: chemistry..at..ccl.net
Subject: re:CCL:energy decomposition method
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>Dear CCLers;
>Would you please give me some information about energy decomposition
>method and QM softwares for the energy decomposition analysis?
>Thank you very much for your kind attention.
>
>Yours,
>
>Tommy Ohyun Kwon, Ph.D
>School of Chemistry and Biochemistry
>Georgia Institute of Technology
>Atlanta Georgia, 30332
>Email: ohyun.kwon..at..chemistry.gatech.edu
>
>
>
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The best is to do it oneself depending on the problem at hand.
However, there are some softwares, for e.g., Gamess and ADF,
which incorporate such energy decomposition analysis.

Giju Kalathingal

Present Address:-
Dr. Kalathingal Thomas Giju
Department of General Chemistry (ALGC)
Vrije Universiteit Brussel
Pleinlaan 2, 1050 Brussels, Belgium. 
Tel.:++32-2-629-3315 Fax: ++32-2-629-3317
E-mail: Giju.Kalathingal..at..vub.ac.be