Electronic structure, chemical bonding, and solid-state NMR spectroscopy of the digallides of Ca, Sr, and Ba

Chemistry - A European Journal

Volumn 15, Issue 7, 2009, Pages 1673-1684

  Haarmann, Frank ^a   Koch, Katrin ^a   Grüner, Daniel ^a   Schnelle, Walter ^a   Pecher, Oliver ^a   Cardoso Gil, Raul ^a   Borrmann, Horst ^a   Rosner, Helge ^a   Grin, Yuri ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

Ab initio calculations; Electronic structure; Intermetallic compounds; NMR spectroscopy; X ray diffraction

Indexed keywords

ANISOTROPY; ATOMS; BARIUM; CALCIUM; CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; DIFFRACTION; ELECTRIC FIELDS; ELECTRIC FURNACES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; FERMIONS; GALLIUM; MAGNETIC FIELDS; MAGNETIC SUSCEPTIBILITY; MARINE BIOLOGY; NUCLEAR MAGNETIC RESONANCE; PHASE TRANSITIONS; SEMICONDUCTING INTERMETALLICS; SINGLE CRYSTALS; SPECIFIC HEAT; SPECTROSCOPY; SPECTRUM ANALYSIS; X RAY DIFFRACTION;

AB INITIO CALCULATIONS; ALKALINE-EARTH METALS; CHEMICAL BONDINGS; CRYSTALLOGRAPHIC INFORMATIONS; DENSITY OF STATE; DI-GALLIDES; ELECTRIC-FIELD GRADIENTS; ELECTRON LOCALIZATION FUNCTIONS; ELECTRON TRANSPORTS; FERMI VELOCITIES; INTER-ATOMIC DISTANCES; INTERMETALLIC COMPOUNDS; KNIGHT SHIFTS; LOWER ENERGIES; NMR SPECTROSCOPY; QUANTUM-MECHANICAL CALCULATIONS; SIGNAL SHIFTS; SOLID-STATE NMR SPECTROSCOPIES; SPECIFIC HEAT CAPACITIES; SPECTROSCOPIC SIGNALS; STRUCTURAL FEATURES; STRUCTURAL INSTABILITIES; STRUCTURAL MODIFICATIONS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 60749103193     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200801131     Document Type: Article

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