High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding

Journal of Chemical Physics

Volumn 131, Issue 18, 2009, Pages

  Pechkis, Daniel L ^a   Walter, Eric J ^a   Krakauer, Henry ^a  

^a The College of William and Mary   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIELDING; CHEMICAL SHIELDING TENSORS; COMPLEX PEROVSKITES; EMBEDDED CLUSTERS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HIGH SENSITIVITY; LARGE ANISOTROPY; LINEAR VARIATION; LOCAL STRUCTURE; NMR MEASUREMENTS; NMR SPECTROSCOPY; PARAMAGNETIC CONTRIBUTION; PEROVSKITE CRYSTAL; POWDER SPECTRA; SRTIO; TI-O BONDS; TRANSITION-METAL OXIDES; VIRTUAL TRANSITIONS;

ANISOTROPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDE MINERALS; PEROVSKITE; SHIELDING; SINGLE CRYSTALS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

NUCLEAR MAGNETIC RESONANCE;

EID: 72949115677     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3257625     Document Type: Article

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