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, Scopus)

• 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