NbF5 and TaF5: Assignment of 19F NMR resonances and chemical bond analysis from GIPAW calculations

Journal of Solid State Chemistry

Volumn 207, Issue , 2013, Pages 208-217

  Biswal, Mamata ^a   Body, Monique ^a   Legein, Christophe ^a   Sadoc, Aymeric ^b   Boucher, Florent ^b  

^a UNIVERSITÉ DU MAINE   (France)

^b UNIVERSITÉ DE NANTES   (France)

Author keywords

19F solid state NMR; DFT calculations; Inorganic fluorides

Indexed keywords

CHEMICAL SHIELDING TENSORS; DFT CALCULATION; INORGANIC FLUORIDE; ISOTROPIC CHEMICAL SHIFTS; RESIDUAL DIPOLAR COUPLINGS; SEMI-EMPIRICAL DISPERSIONS; SOLID STATE NMR; VAN DER WAALS INTERACTIONS;

CHEMICAL SHIFT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTIMIZATION; SHIELDING; TENSORS; VAN DER WAALS FORCES;

FLUORINE;

EID: 84885990080     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2013.09.001     Document Type: Article

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