Rovibrational effects on NMR shieldings in a heavy-element system: XeF 2

Journal of Chemical Physics

Volumn 137, Issue 21, 2012, Pages

  Lantto, Perttu ^a   Kangasvieri, Sanna ^b   Vaara, Juha ^a  

^a UNIVERSITY OF OULU   (Finland)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COMPUTATIONAL STUDIES; DIRAC THEORY; HIGH QUALITY; HYPERFINE INTERACTIONS; HYPERSURFACE; ISOTOPE EFFECT; ISOTOPE SHIFTS; LOW PRESSURE GAS; NONRELATIVISTIC; QUANTITATIVE AGREEMENT; QUANTUM MECHANICAL; QUANTUM-MECHANICAL TREATMENTS; RELATIVISTIC CORRECTION; RELATIVISTIC EFFECTS; SHIELDING CONSTANTS; SOLVENT EFFECTS; SPIN ORBIT INTERACTIONS; TEMPERATURE DEPENDENCE; THIRD-ORDER; ZEEMAN INTERACTIONS; ZERO POINT MOTION; ZERO-POINT;

ANISOTROPY; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; EXPERIMENTS; FLUORINE; ISOTOPES; MOLECULES; TEMPERATURE DISTRIBUTION; THERMAL EFFECTS; XENON;

SHIELDING;

EID: 84870897842     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4768471     Document Type: Article

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