Density functional theory study of the oxoperoxo vanadium(V) complexes of glycolic acid. Structural correlations with NMR chemical shifts

Dalton Transactions

Volumn , Issue 44, 2009, Pages 9735-9745

  Justino, Licínia L G ^a,d   Ramos, M Luísa ^a,d   Kaupp, Martin ^b   Burrows, Hugh D ^a   Fiolhais, Carlos ^c   Gil, Victor M S ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c UNIVERSITY OF COIMBRA   (Portugal)

^d UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODOLOGY; DFT CALCULATION; GASPHASE; GEOMETRICAL PARAMETERS; GLYCOLATES; GLYCOLIC ACIDS; ISOLATED MOLECULES; METAL CENTRES; METAL NUCLEI; MULTINUCLEAR NMR; NMR CHEMICAL SHIFTS; OPTIMIZED GEOMETRIES; SMALL MOLECULES; STRUCTURAL CHANGE; STRUCTURAL CORRELATION; STRUCTURAL MODIFICATIONS; THEORETICAL STRUCTURE;

BOND LENGTH; CHEMICAL MODIFICATION; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; GEOMETRY; METALS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; VANADIUM ALLOYS;

VANADIUM COMPOUNDS;

GLYCOLIC ACID; GLYCOLIC ACID DERIVATIVE; LIGAND; ORGANOMETALLIC COMPOUND; VANADIUM;

ARTICLE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

GLYCOLATES; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; ORGANOMETALLIC COMPOUNDS; VANADIUM;

EID: 71049189310     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b910033d     Document Type: Article

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