GIAO-DFT prediction of accurate NMR parameters in selected glucose derivatives

Magnetic Resonance in Chemistry

Volumn 37, Issue 6, 1999, Pages 421-426

  Kupka, Teobald ^a,b,d   Pasterna, Grazyna ^a   Lodowski, Piotr ^a   Szeja, Wiesław ^c  

^a UNIVERSITY OF SILESIA   (Poland)

^b CENTRE OF POLYMER AND CARBON MATERIALS   (Poland)

^c SILESIAN UNIVERSITY OF TECHNOLOGY   (Poland)

^d UNIVERSITY OF WATERLOO   (Canada)

Author keywords

13C NMR; 1H NMR; And 17O NMR; Chemical shift components; Chemical shifts; DFT and ab initio calculations; GIAO NMR; NMR; and D glucose

Indexed keywords

DENSITY FUNCTIONAL THEORY; GLUCOSE;

13C NMR; 1H NMR; AB INITIO CALCULATIONS; AND 17O NMR; CHEMICAL SHIFT COMPONENT; DFT AND AB INITIO; DFT AND AB INITIO CALCULATION; GIAO NMR; Α- AND Β-D-GLUCOSE; Β-D-GLUCOSE;

CHEMICAL SHIFT;

EID: 0033137372     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199906)37:6<421::AID-MRC479>3.0.CO;2-W     Document Type: Article

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