[Wien] General question on NMR

[Pascal Boulet]

Dear all,

A colleague of mine who is doing experimental H-NMR measurements on molecules grafted on gold nanoparticules asked me whether it is possible or not to run NMR calculations. Since I have no experience at all on this kind of calculation, I would like to know if someone could tell me what is the limit in size of the models we can simulate and what accuracy we can expect. 

Thank you for your reply.
Best regards
Pascal
--
Pascal Boulet - MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIE
Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 Marseille
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Site : http://allos.up.univ-mrs.fr/pascal - Email : pascal.boulet at univ-amu.fr
Afin de respecter l'environnement, merci de n'imprimer cet email que si nécessaire.

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