Dear Sir,
We are interested in the calculation of the chemical shifts by using the
Zora Basis in the ADF program.
We would like to know how to proceed this calculations, even if ppossible
to use. Our special interest is the chemical shifts calculations on
transition metal complexes; e.g.; metals like Os, W, Re.
It will be very helpful for us, if you can send us one input example with
the Zora Basis and all your remarks are willcome
Sincerely yours
___________________________________________________
Boris Le Guennic
Laboratoire de Chimie du Solide et Inorganique Moléculaire
UMR CNRS 6511-Université de Rennes 1
Institut de Chimie de Rennes
35042 Rennes cedex, France
Tel: (33) (0) 2 99 28 61 23 (poste 52 82)
Fax: (33) (0) 2 99 38 34 87
E-mail: bleguenn_at_univ-rennes1.fr
___________________________________________________
Received on 2000-11-28 10:39:47
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