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

ZORA M., ÖZKAN İ.

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

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 638
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0166-1280(03)00562-1
  • Dergi Adı: Journal of Molecular Structure: THEOCHEM
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.157-162
  • Anahtar Kelimeler: aromaticity, nucleus-independent chemical shift, pyrrole, furan, thiophene, NMR, density functional theory, gauge-independent atomic orbital, B3LYP, TRANSITION STRUCTURES, AROMATICITY, DENSITY, AM1
  • Orta Doğu Teknik Üniversitesi Adresli: Evet