Ab initio study of halogenated diphenyl ethers. NMR chemical shift prediction

Magnetic Resonance in Chemistry

Volumn 38, Issue 12, 2000, Pages 987-993

  Eloranta, Jussi ^a   Hu, Jiwei ^a   Suontamo, Reijo ^a   Kolehmainen, Erkki ^a   Knuutinen, Juha ^a  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

13C NMR; 17O NMR; 1H NMR; Chemical shifts; GIAO; DFT; Halogenated diphenyl ethers; NMR

Indexed keywords

ETHERS; HALOGENATION;

13C NMR; 17O NMR; 1H NMR; B3LYP/6-31G; CHEMICAL SHIFT;; DFT; DIPHENYL ETHER; GIAO; HALOGENATED DIPHENYL ETHER; NMR CHEMICAL SHIFTS;

CHEMICAL SHIFT;

EID: 0034392063     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-458X(200012)38:12<987::AID-MRC767>3.0.CO;2-1     Document Type: Article

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