Hi,
I am looking for a book (or publications or someone) that could explain
to me the different steps for getting (by abinitio methods) force
constants "K" for a small molecule.
For instance : E=K(r-r0)2 for a bond.
E=K(Theta-Theta0)2 for an angle.
I would like to use these constants to modify a force field. This force
field will be usefull to study a bigger molecule (a peptide) with this
small studied group.
Thank you very much, FyD
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Francois Dupradeau
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Laboratoire de Biophysique
Faculte de Pharmacie
Universite de Picardie Jules Verne
1, rue des Louvels
80 037 Amiens Cedex 1
France
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Tel (33) 03 22 82 74 98
Fax (33) 03 22 82 74 69
email Francois-Yves.Dupradeau at sa.u-picardie.fr
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