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Volumn 55, Issue 19, 1999, Pages 6205-6210

Two sources of the decrease of aromaticity: Bond length alternation and bond elongation. Part I. An analysis based on benzene ring deformations

Author keywords

Aromaticity; Benzenes; Energy

Indexed keywords

BENZENE;

EID: 0033531988     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(99)00264-1     Document Type: Article
Times cited : (53)

References (26)
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    • Krygowski, T.M.1
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    • Cyrański, M. K, Krygowski, T. M. and Bird C. W., Tetrahedron, 1998, 54, 9711-9720; Cyrański, M. K. and Krygowski, T. M., Tetrahedron, 1998, 54, 14919-14924.
    • (1998) Tetrahedron , vol.54 , pp. 14919-14924
    • Cyrański, M.K.1    Krygowski, T.M.2
  • 15
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    • private communication
    • Schleyer, P.v. R., private communication, 1997.
    • (1997)
    • Schleyer, P.V.R.1
  • 18
  • 19
    • 0002434172 scopus 로고
    • Gas phase electron diffraction geometry of butadiene-1,3; reference bond length in the HOMA model taken from: Kveseth, K., Seip, R. and Kohl, D.A., Acta Chem. Scand., 1980, 34, 31-42.
    • (1980) Acta Chem. Scand. , vol.34 , pp. 31-42
    • Kveseth, K.1    Seip, R.2    Kohl, D.A.3
  • 20
    • 0013529301 scopus 로고    scopus 로고
    • Kekule structure of benzene optimised in B3LYP/6-31G*; NICS calculated in RHF/6-31+G*
    • Kekule structure of benzene optimised in B3LYP/6-31G*; NICS calculated in RHF/6-31+G*
  • 21
    • 0013557539 scopus 로고    scopus 로고
    • Geometry optimised in B3LYP/6-31G*; NICS calculated in RHF/6-31+G*
    • Geometry optimised in B3LYP/6-31G*; NICS calculated in RHF/6-31+G*


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.