CCL: energies of chemical bonds

Dear Dr. Abdelghani, 

The current ADF2008 release contains the well-known bond energy decomposition based on ADF's fragment approach:  
http://www.scm.com/Products/Overview/bondenergy.html

The ADF2009 release, which is in preparation, will also contain the new powerful ETS-NOCV scheme: 

M. Mitoraj, A. Michalak and T. Ziegler, Chem. Theory Comput., 5 (2009), 962

M. Mitoraj, A. Michalak and T. Ziegler, Organometallics, 28 (2009), 3727

Best regards,
Stan van Gisbergen 

On Aug 5, 2009, at 10:52 AM, may abdelghani may01dz ~ yahoo.fr wrote:

Dear CCL's

How I can calculate the energies of chemical bonds, in ADF

thank you very much,



Dr. S.J.A. van Gisbergen
Chief Executive Officer
Scientific Computing & Modelling NV
Theoretical Chemistry, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam
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