First-Principles Calculation of 17O, 29Si, and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses

Journal of Physical Chemistry B

Volumn 108, Issue 13, 2004, Pages 4147-4161

  Charpentier, Thibault ^a   Ispas, Simona ^b   Profeta, Mickael ^c   Mauri, Francesco ^c   Pickard, Chris J ^d  

^a CEA SACLAY   (France)

^b UNIV MONTPELLIER   (France)

^c UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CRYSTALLINE MATERIALS; GLASS; KINETIC ENERGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; PROBABILITY DENSITY FUNCTION; SILICON; SODIUM;

CHEMICAL SHIELDING TENSOR; ELECTRIC FIELD GRADIENT (EFG); FIRST-PRINCIPLES CALCULATION; MAGIC-ANGLE SPINNING (MAS);

SODIUM SILICATE PROCESS;

EID: 1842763794     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0367225     Document Type: Article

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