NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data

Magnetic Resonance in Chemistry

Volumn 37, Issue 12, 1999, Pages 895-902

  Dokalik, Albrecht ^a   Kalchhauser, Hermann ^a   Mikenda, Werner ^a   Schweng, Gerhard ^a  

^a INSTITUT FÜR ORGANISCHE CHEMIE   (Austria)

Author keywords

1H NMR, 13C NMR, 15N NMR; GIAO calculations; Nitrogen heterocycles; NMR; Shielding constants

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; COMPUTATION THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SHIELDING; STATISTICS;

1H NMR, 13C NMR, 15N NMR; 6-MEMBERED RINGS; BASIS SETS; GIAO CALCULATION; ISOTROPIC SHIELDING; NITROGEN HETEROCYCLES; NITROGEN-CONTAINING HETEROCYCLES; NMR SPECTRUM; SHIELDING CONSTANTS; STANDARD DEVIATION;

CHEMICAL SHIFT;

EID: 0033248972     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199912)37:12<895::AID-MRC581>3.0.CO;2-7     Document Type: Article

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