Subject: NMR shielding calculations

From: [email-masked] (Pascal HEBANT)
Date: Tue, 11 Jun 1996 10:18:41 +0100

Hi all,

I am performing NMR shielding calculations (of 7Li) but it seems to me that
the results are very dependant of the molecular geometry and that a small
change in the structure induces important changes for the chemical shift.

Have you more informations about this assumption?
More generally, what is the accuracy of such calculations?

Regards

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Pascal HEBANT

Laboratoire d'Electrochimie et de Chimie Analytique
Ecole Nationale Superieure de Chimie de Paris
11 rue Pierre et Marie Curie
75005 Paris FRANCE

tel: 33 (1) 44 27 66 94                             fax: 33 (1) 44 27 67 50
http://alcyone.enscp.jussieu.fr/Pages/LECA/Electrochimie.html
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