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Volumn , Issue 48, 2006, Pages 5030-5032

π-Conjugation in donor-substituted cyanoethynylethenes: An EDA study

Author keywords

[No Author keywords available]

Indexed keywords

CYANOETHYNYLETHENE DERIVATIVE; ETHYLENE DERIVATIVE;

EID: 33845271468     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b613671k     Document Type: Article
Times cited : (36)

References (28)
  • 14
    • 33645022124 scopus 로고    scopus 로고
    • Recent reviews about the EDA method and its application have been published by:
    • I. Fernández G. Frenking J. Org. Chem. 2006 71 2251
    • (2006) J. Org. Chem. , vol.71 , pp. 2251
    • Fernández, I.1    Frenking, G.2
  • 18
  • 19
    • 49049148107 scopus 로고
    • An auxiliary set of s, p, d, f and g STOs was used to fit the molecular densities and to represent the Coulomb and exchange potentials accurately in each SCF cycle:
    • J. G. Snijders E. J. Baerends P. Vernooijs At. Nucl. Data Tables 1982 26 483
    • (1982) At. Nucl. Data Tables , vol.26 , pp. 483
    • Snijders, J.G.1    Baerends, E.J.2    Vernooijs, P.3
  • 22
    • 33845274224 scopus 로고    scopus 로고
    • Dissertation ETH No. 12928, Zürich
    • A. Hilger, Dissertation ETH No. 12928, Zürich, 1998
    • (1998)
    • Hilger, A.1
  • 24
    • 33845257234 scopus 로고    scopus 로고
    • The same conclusion was drawn by experimental as well as by theoretical studies. See ref. 12 and references therein
    • The same conclusion was drawn by experimental as well as by theoretical studies. See ref. 12 and references therein
  • 26
    • 33845261726 scopus 로고    scopus 로고
    • In a forthcoming paper we will report on a comparison of the EDA and NBO methods for the calculation of conjugation and hyperconjugation
    • In a forthcoming paper we will report on a comparison of the EDA and NBO methods for the calculation of conjugation and hyperconjugation


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.