Nucleus-independent chemical shift evaluation for benzo- and dibenzo-fused pyrrole, furan and thiophene derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 638, Issue 1-3, 2003, Pages 157-162

  Zora, Metin ^a   Özkan, Ilker ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Aromaticity; B3LYP; Density functional theory; Furan; Gauge independent atomic orbital; NMR; Nucleus independent chemical shift; Pyrrole; Thiophene

Indexed keywords

AROMATIC COMPOUND; BENZOFURAN DERIVATIVE; DIBENZOFURAN DERIVATIVE; FURAN DERIVATIVE; INDOLE DERIVATIVE; INDOLIZINE DERIVATIVE; ISOINDOLE DERIVATIVE; PYRROLE DERIVATIVE; THIOPHENE DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CALCULATION; CHEMICAL BOND; ENERGY; MOLECULAR STABILITY; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 0346753913     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00562-1     Document Type: Article

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