NMR chemical-shift anomaly and bonding in piano-stool carbonyl and related complexes - An ab initio ECP/DFT study

Chemistry - A European Journal

Volumn 2, Issue 3, 1996, Pages 348-358

  Kaupp, Martin ^a,b  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Carbonyl complexes; Density functional theory; NMR chemical shifts; Pseudopotentials; Transition metal complexes

Indexed keywords

CARBONYL CARBON ATOMS; CARBONYL COMPLEXES; CHEMICAL SHIFT TENSORS; NMR CHEMICAL SHIFTS; PARAMAGNETIC CONTRIBUTION; PSEUDOPOTENTIALS; SPATIAL ARRANGEMENTS; TRANSITION-METAL COMPLEX;

ANISOTROPY; CALCULATIONS; CHEMICAL SHIFT; CHROMIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; LIGANDS; METAL COMPLEXES; MOLYBDENUM COMPOUNDS; MUSICAL INSTRUMENTS; NIOBIUM COMPOUNDS; PARAMAGNETISM; SHIELDING; TENSORS; TIME VARYING SYSTEMS; TUNGSTEN COMPOUNDS; ZIRCONIUM;

ZIRCONIUM COMPOUNDS;

EID: 0000194181     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.19960020317     Document Type: Article

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