Probing electronic and geometric effects on δ(71Ga) by means of Ab initio chemical shift computations

Magnetic Resonance in Chemistry

Volumn 34, Issue 10, 1996, Pages 782-790

  Buhl M ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

71Ga; Ab initio computations; Chemical shift computations; Electric field gradient

Indexed keywords

CHEMICAL BONDS; ELECTRIC FIELDS; GALLIUM COMPOUNDS; GEOMETRY; MOLECULES; NUMERICAL METHODS; QUANTUM CHEMISTRY;

71GA; AB INITIO; AB INITIO COMPUTATIONS; BASIS SETS; CHEMICAL SHIFT COMPUTATION; ELECTRIC FIELD GRADIENTS; ELECTRONIC EFFECTS; GAUGE-INCLUDING ATOMIC ORBITALS; GEOMETRIC EFFECTS; OPTIMIZED GEOMETRIES;

CHEMICAL SHIFT;

EID: 0001314973     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199610)34:10<782::AID-OMR969>3.0.CO;2-8     Document Type: Article

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