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Volumn 16, Issue 8, 1983, Pages 292-298

Contribution of Theoretical Chemistry to an Understanding of Electronic Substituent Effects

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EID: 33845549905     PISSN: 00014842     EISSN: 15204898     Source Type: Journal    
DOI: 10.1021/ar00092a005     Document Type: Article
Times cited : (93)

References (53)
  • 1
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    • Methods of Electronic Structure Theory
    • See, for example, ref 2 and, H. F. Schaefer III, Ed., Plenum, New York, “Applications of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977
    • See, for example, ref 2 and “Methods of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977;, “Applications of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977.
    • (1977)
  • 16
    • 84909863312 scopus 로고
    • See for example “Gas-phase Ion Chemistry”, M. T. Bowers, Ed., Academic Press, New York, 1979; “Ion Cyclotron Resonance Spectrometry”, H. Hartmann and K.-P. Wanczek, Eds., Springer-Verlag, Berlin, 1978
    • See, for example, R. T. McIver, Jr., Science, 243, 186 (1980); “Gas-phase Ion Chemistry”, M. T. Bowers, Ed., Academic Press, New York, 1979; “Ion Cyclotron Resonance Spectrometry”, H. Hartmann and K.-P. Wanczek, Eds., Springer-Verlag, Berlin, 1978.
    • (1980) Science , vol.243 , pp. 186
    • McIver, R.T.1
  • 19
    • 0002875014 scopus 로고
    • and references therein
    • R. D. Topsom, J. Am. Chem. Soc., 103, 39 (1981), and references therein.
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 39
    • Topsom, R.D.1
  • 25
    • 0004219668 scopus 로고    scopus 로고
    • Inorganic Chemistry
    • See for example, Harper and Row, New York
    • See, for example, J. E. Huheey, “Inorganic Chemistry”, Harper and Row, New York, 1975.
    • Huheey, J.E.1
  • 27
    • 0002419331 scopus 로고
    • See for example
    • See, for example: R. Knorr, Tetrahedron, 37, 929 (1981);
    • (1981) Tetrahedron , vol.37 , pp. 929
    • Knorr, R.1
  • 32
    • 0010751653 scopus 로고
    • Theoretical calculations have shown that σ and π interactions occur in the same fashion in monosubstituted methanes as in monosubstituted benzenes
    • Theoretical calculations have shown that σ and π interactions occur in the same fashion in monosubstituted methanes as in monosubstituted benzenes: K. B. Wiberg, J. Am. Chem. Soc., 102, 1229 (1980).
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 1229
    • Wiberg, K.B.1
  • 35
    • 0000924439 scopus 로고
    • F. The geometry was based on the relative positions of the ethylenic linkage and X in para-subsituted styrenes, The use of HX avoids the hyperconjugation interaction that can occur in methyl derivatives
    • F. The geometry was based on the relative positions of the ethylenic linkage and X in para-subsituted styrenes: W. F. Reynolds, P. G. Mezey, and G. K. Hamer, Can. J. Chem., 55, 522 (1977). The use of HX avoids the hyperconjugation interaction that can occur in methyl derivatives.
    • (1977) Can. J. Chem. , vol.55 , pp. 522
    • Reynolds, W.F.1    Mezey, P.G.2    Hamer, G.K.3
  • 42
    • 33845557432 scopus 로고
    • This has also been concluded from theoretical calculation (STO-3G) of the energies of monosubstituted benzenes in the presence of positive charges
    • This has also been concluded from theoretical calculation (STO-3G) of the energies of monosubstituted benzenes in the presence of positive charges: E. R. Vorpagel, A. Streitweiser, and S. D. Alexandratos, J. Am. Chem. Soc., 103, 3777 (1981).
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 3777
    • Vorpagel, E.R.1    Streitweiser, A.2    Alexandratos, S.D.3
  • 49
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    • See, for example, and references therein
    • See, for example: E. A. Hill and H. E. Guenther, Org. Magn. Reson., 16, 177 (1981), and references therein;
    • (1981) Org. Magn. Reson. , vol.16 , pp. 177
    • Hill, E.A.1    Guenther, H.E.2
  • 51
    • 37049102604 scopus 로고
    • S. Marriott and R. D. Topsom, manuscript submitted for publication
    • R. T. C. Brownlee and D. J. Craik, J. Chem. Soc., Perkin Trans., 760 (1981); S. Marriott and R. D. Topsom, manuscript submitted for publication.
    • (1981) J. Chem. Soc., Perkin Trans. , pp. 760
    • Brownlee, R.T.C.1    Craik, D.J.2


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