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

ZORA M., ÖZKAN İ.

Journal of Molecular Structure: THEOCHEM, vol.638, pp.157-162, 2003 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 638
  • Publication Date: 2003
  • Doi Number: 10.1016/s0166-1280(03)00562-1
  • Journal Name: Journal of Molecular Structure: THEOCHEM
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.157-162
  • Keywords: aromaticity, nucleus-independent chemical shift, pyrrole, furan, thiophene, NMR, density functional theory, gauge-independent atomic orbital, B3LYP, TRANSITION STRUCTURES, AROMATICITY, DENSITY, AM1
  • Middle East Technical University Affiliated: Yes