A computational investigation of 17O quadrupolar coupling parameters and structure in α-quartz phase GeO2

Solid State Nuclear Magnetic Resonance

Volumn 32, Issue 1, 2007, Pages 16-23

  Sefzik, Travis H ^a   Clark, Ted M ^a   Grandinetti, Philip J ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; PARAMETER ESTIMATION; PRESSURE EFFECTS; SILICON COMPOUNDS;

HARTREE-FOCK MOLECULAR ORBITAL; QUADRUPOLAR ASYMMETRY;

COMPUTATION THEORY;

GERMANIUM; GERMANIUM DIOXIDE; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; PHASE TRANSITION; SPIN LABELING;

COMPUTER SIMULATION; GERMANIUM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXYGEN ISOTOPES; PHASE TRANSITION; SPIN LABELS;

EID: 34547583354     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2007.07.002     Document Type: Article

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