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Volumn 70, Issue 7, 2005, Pages 2509-2521

Local aromaticity of [n]acenes, [n]phenacenes, and [n]helicenes (n = 1-9)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; DAMPING; ELECTRONS; MAGNETIC COUPLINGS;

EID: 17044411724     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0480388     Document Type: Article
Times cited : (201)

References (74)
  • 32
    • 0001874852 scopus 로고
    • Chalvet, O., Daudel, R., Diner, S., Malrieu, J. P., Eds.; Reidel: Dordrecht, The Netherlands
    • Bader, R. F. W. In Localization and delocalitzation in quantum chemistry; Chalvet, O., Daudel, R., Diner, S., Malrieu, J. P., Eds.; Reidel: Dordrecht, The Netherlands, 1975; Vol. I, p 15.
    • (1975) Localization and Delocalitzation in Quantum Chemistry , vol.1 , pp. 15
    • Bader, R.F.W.1
  • 69
    • 17044409073 scopus 로고    scopus 로고
    • note
    • We have started from the B3LYP/6-31G(d) optimized geometry of H9. To fill the free valences that appeared in rings adjacent to rings D and F, we have placed hydrogen atoms with a C-H bond length of 1.07 Å. No further reoptimization has been carried out.
  • 70
    • 17044430978 scopus 로고    scopus 로고
    • note
    • As before the unfilled valences produced by the removal of rings A, B, and C in H9 have been covered with H atoms using C-H bond lengths of 1.07 Å.
  • 71
    • 0141876111 scopus 로고    scopus 로고
    • Emsley, J. W., Feeney, J., Sutcliffe, L. H., Eds.; Elsevier: Amsterdam, The Netherlands
    • Lazzeretti, P. In Progress in Nuclear Magnetic Resonance Spectroscopy; Emsley, J. W., Feeney, J., Sutcliffe, L. H., Eds.; Elsevier: Amsterdam, The Netherlands. 2000; Vol. 36, p 1.
    • (2000) Progress in Nuclear Magnetic Resonance Spectroscopy , vol.36 , pp. 1
    • Lazzeretti, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.