Inorganic fluorides: Model materials to investigate NMR parameters calculation methods (chemical shift and quadrupolar parameters;Les fluorures inorganiques, des matériaux modèles pour tester les méthodes de calcul de paramètres RMN (déplacement chimique et paramètres quadripolaires)

Comptes Rendus Chimie

Volumn 7, Issue 3-4, 2004, Pages 403-416

  Silly, Gilles ^a   Body, Monique ^b   Buzaré, Jean Yves ^a   Legein, Christophe ^b   Bureau, Bruno ^c  

^a UMR 6087 CNRS   (France)

^b UNIVERSITÉ DU MAINE   (France)

^c UNIVERSITÉ DE RENNES 1   (France)

Author keywords

Ab initio; Chemical shift; Inorganic fluorides; NMR; Quadrupolar nuclei; Quantum chemistry; Semi empirical

Indexed keywords

ALUMINUM; FLUORIDE; FLUORINE; GALLIUM; INORGANIC COMPOUND; SODIUM 23;

ANALYTIC METHOD; ARTICLE; CALCULATION; CHEMICAL MODEL; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTALLIZATION; EMPIRICISM; EXPERIMENTATION; INTERMETHOD COMPARISON; NUCLEAR MAGNETIC RESONANCE; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 2342593173     PISSN: 16310748     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crci.2004.02.006     Document Type: Article

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