Calculation of 17O NMR shieldings in molecular models for crystalline MO, M = Mg, Ca, Sr, and in models for alkaline earth silicates

Physics and Chemistry of Minerals

Volumn 31, Issue 1, 2004, Pages 41-44

  Tossell, J A ^a  

^a Bldg 142   (United States)

Author keywords

Alkaline earth silicates; CaO; MgO; NMR; Quantum calculation; SrO

Indexed keywords

MATHEMATICAL MODELS; MINERALS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; SILICATES;

DENSITY-FUNCTIONAL THEORY; POLARIZATION FUNCTIONS;

MINERALOGY;

ALKALINE EARTH METAL; CALCIUM; CRYSTAL STRUCTURE; MAGNESIUM; OXIDE; QUANTUM MECHANICS; SILICATE; STRONTIUM;

EID: 1542320656     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00269-003-0366-7     Document Type: Article

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