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Volumn 350, Issue 5-6, 2001, Pages 537-542

Aromaticity strongly affected by substituents in fulvene and heptafulvene as a new method of estimating the resonance effectDedicated to our friend and co-worker Professor Günter Häfelinger (Eberhard Karls University, Tübingen, Germany) on the occasion of his 65th birthday.

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EID: 0038251749     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)01320-3     Document Type: Article
Times cited : (59)

References (40)
  • 4
    • 0004053307 scopus 로고
    • N.B. Chapman, & J. Shorter. London: Plenum Press
    • Chapman N.B., Shorter J. Correlation Analysis in Chemistry. 1978;Plenum Press, London.
    • (1978) Correlation Analysis in Chemistry
  • 6
    • 0003820281 scopus 로고    scopus 로고
    • JAI Press Stanford, Conn QSAR is very frequently used for modelling various biologically-based phenomena, like drug design, environmental studies, various branches of biochemistry, food chemistry etc; only in the last 5 years the term QSAR has been used 1426 times in the titles, abstracts or as key words in scientific papers [information retrieved from the Science Citation Database, October, 2000]. In many of these papers substituent constants are used as descriptors of substituent effects
    • Charton M., Charton B. Advances in Quantitative Structure-Property Relationships. 1999;JAI Press, Stanford, Conn, QSAR is very frequently used for modelling various biologically-based phenomena, like drug design, environmental studies, various branches of biochemistry, food chemistry etc; only in the last 5 years the term QSAR has been used 1426 times in the titles, abstracts or as key words in scientific papers [information retrieved from the Science Citation Database, October, 2000]. In many of these papers substituent constants are used as descriptors of substituent effects.
    • (1999) Advances in Quantitative Structure-Property Relationships
    • Charton, M.1    Charton, B.2
  • 16
    • 0011190497 scopus 로고    scopus 로고
    • NICS is a magnetic index of aromaticity. It is defined as a negative value of the absolute magnetic shielding computed at ring centres. Negative value of NICS denotes aromaticity
    • Schleyer P.v.R., Maerker C., Dransfield A., Jiao H., Eikema Hommes N.J.R.v. J. Am. Chem. Soc. 118:1996;6317 NICS is a magnetic index of aromaticity. It is defined as a negative value of the absolute magnetic shielding computed at ring centres. Negative value of NICS denotes aromaticity, positive one - antiaromaticity.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 6317
    • Schleyer V. P, R.1    Maerker, C.2    Dransfield, A.3    Jiao, H.4    Eikema Hommes, N.J.R.V.5
  • 23
    • 0043073745 scopus 로고    scopus 로고
    • - based on kinetics of nucleophilic aromatic substitution, for the details see [4] and [5]
    • - based on kinetics of nucleophilic aromatic substitution, for the details see [4] and [5].
  • 28
    • 0042072085 scopus 로고    scopus 로고
    • + based on Eq. (1b) for seven-membered fragment is only -0.28
    • + based on Eq. (1b) for seven-membered fragment is only -0.28.
  • 29
    • 0004133516 scopus 로고
    • Pittsburgh, PA: Gaussian Inc
    • Frisch M.J.et al. GAUSSIAN 94. 1995;Gaussian Inc, Pittsburgh, PA.
    • (1995) GAUSSIAN 94
    • Frisch, M.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.