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Les fluorures inorganiques, des matériaux modèles pour tester les méthodes de calcul de paramètres RMN (déplacement chimique et paramètres quadripolaires)
- Source :
-
Comptes Rendus Chimie . Mar2004, Vol. 7 Issue 3/4, p403-416. 14p. - Publication Year :
- 2004
-
Abstract
- Inorganic fluorides: model materials to investigate NMR parameters calculation methods (chemical shift and quadrupolar parameters). In this paper, NMR parameters calculation methods applied to crystallized and/or disordered inorganic fluorides are presented: 19F isotropic chemical shift, and 23Na, 27Al, 69,71Ga quadrupolar parameters. These values were obtained using semi-empirical or ab initio calculations, whose principles are presented. The results are generally in good agreement with the experimental values. To cite this article: G. Silly et al., C. R. Chimie 7 (2004). [Copyright &y& Elsevier]
Details
- Language :
- French
- ISSN :
- 16310748
- Volume :
- 7
- Issue :
- 3/4
- Database :
- Academic Search Index
- Journal :
- Comptes Rendus Chimie
- Publication Type :
- Academic Journal
- Accession number :
- 13065015
- Full Text :
- https://doi.org/10.1016/j.crci.2004.02.006