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Volumn 102, Issue 45, 1998, Pages 8953-8963

Modern molecular mechanics and ab initio calculations on benzylic and cyclic delocalized cations

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Indexed keywords


EID: 0001269609     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981406p     Document Type: Article
Times cited : (39)

References (137)
  • 3
    • 84988101433 scopus 로고
    • Sprague, J. T.; Tai, J. C.; Yuh, Y.; Allinger, N. L. J. Comput. Chem. 1987, 8, 581. For a review, see: Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982.
    • (1987) J. Comput. Chem. , vol.8 , pp. 581
    • Sprague, J.T.1    Tai, J.C.2    Yuh, Y.3    Allinger, N.L.4
  • 4
    • 84988101433 scopus 로고
    • American Chemical Society: Washington, DC
    • Sprague, J. T.; Tai, J. C.; Yuh, Y.; Allinger, N. L. J. Comput. Chem. 1987, 8, 581. For a review, see: Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982.
    • (1982) Molecular Mechanics
    • Burkert, U.1    Allinger, N.L.2
  • 17
    • 5244340681 scopus 로고
    • Olah, G. A., Ed.; J. Wiley and Sons: New York
    • (a) A review is given by Müller, P.; Mareda, J. In Cage Hydrocarbons; Olah, G. A., Ed.; J. Wiley and Sons: New York, 1990; p 189.
    • (1990) Cage Hydrocarbons , pp. 189
    • Müller, P.1    Mareda, J.2
  • 26
    • 1542714623 scopus 로고
    • Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York
    • Lichtin, N. N. In Carbonium Ions; Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York, 1968; Vol. 1, p 135.
    • (1968) Carbonium Ions , vol.1 , pp. 135
    • Lichtin, N.N.1
  • 30
    • 84985557571 scopus 로고
    • Early articles on X-ray investigations of carbocations are given by (a) Laube, T. Angew. Chem., Int. Ed. Engl. 1987, 26, 560.
    • (1987) Angew. Chem., Int. Ed. Engl. , vol.26 , pp. 560
    • Laube, T.1
  • 33
    • 0347307522 scopus 로고
    • Recent articles on X-ray investigations of carbocations are given by (a) Hollenstein S.; Laube, T. J. Am. Chem. Soc. 1993, 115, 7240.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 7240
    • Hollenstein, S.1    Laube, T.2
  • 36
    • 0002831263 scopus 로고    scopus 로고
    • Prakash, G. K. S., Schleyer, P. v. R., Eds.; J. Wiley and Sons: New York
    • (d) Laube, T. In Stable Carbocation Chemistry; Prakash, G. K. S., Schleyer, P. v. R., Eds.; J. Wiley and Sons: New York, 1997; p 453.
    • (1997) Stable Carbocation Chemistry , pp. 453
    • Laube, T.1
  • 39
    • 0000769666 scopus 로고
    • For recent experimental investigations of the triphenylmethyl cation, see: Tao, T.; Maciel, G. E. J. Am. Chem. Soc. 1995, 117, 12889.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 12889
    • Tao, T.1    Maciel, G.E.2
  • 51
    • 0000511248 scopus 로고
    • and references cited
    • Lifshitz, C. Acc. Chem. Res. 1994, 27, 138 and references cited.
    • (1994) Acc. Chem. Res. , vol.27 , pp. 138
    • Lifshitz, C.1
  • 57
  • 65
    • 0007767179 scopus 로고
    • Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York
    • For early reviews on homoaromaticity, see: (a) Winstein, S. In Carbonium Ions; Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York, 1968; Vol. 3, p 965.
    • (1968) Carbonium Ions , vol.3 , pp. 965
    • Winstein, S.1
  • 67
    • 0003541157 scopus 로고
    • Nozoe, T., Breslow, R., Hafner, K., Ito, S., Murata, I., Eds.; Hirokawa: Tokyo
    • (c) Warner, P. M. In Topics in Nonbenzoid Aromatic Character; Nozoe, T., Breslow, R., Hafner, K., Ito, S., Murata, I., Eds.; Hirokawa: Tokyo, 1979; Vol. 2.
    • (1979) Topics in Nonbenzoid Aromatic Character , vol.2
    • Warner, P.M.1
  • 96
    • 85034298642 scopus 로고    scopus 로고
    • note
    • (a) The MMP2-82 program is available from the Quantum Chemistry Program Exchange (University of Indiana Bloomington, IN 47405). (b) The modified MMP2 program can be obtained from the authors on request.
  • 103
    • 0003780688 scopus 로고
    • Chapman and Hall: London, New York
    • The experimental heats of formation and the error estimates of the neutral molecules discussed in this article are given by Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Thermochemical Data of Organic Compounds; Chapman and Hall: London, New York, 1986.
    • (1986) Thermochemical Data of Organic Compounds
    • Pedley, J.B.1    Naylor, R.D.2    Kirby, S.P.3
  • 105
    • 11644307871 scopus 로고
    • Bowers, M. T., Ed.; Academic Press: New York
    • The experimental error estimates of carbocations are given by Aue, D. H.; Bowers, M. T. In Gas-Phase Ion Chemistry; Bowers, M. T., Ed.; Academic Press: New York, 1979; Vol. 2, p 12.
    • (1979) Gas-Phase Ion Chemistry , vol.2 , pp. 12
    • Aue, D.H.1    Bowers, M.T.2
  • 106
    • 85034302874 scopus 로고    scopus 로고
    • note
    • Experimental value. The MMP2 heat of formation of methane (-12.1 kcal/mol) deviates significantly.
  • 122
    • 0000859695 scopus 로고
    • Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York
    • (b) Freedman H. H. In Carbonium Ions; Olah, G. A., Schleyer, P. v. R., Eds.; Plenum Press: New York, 1973; Vol. 4, p 1501.
    • (1973) Carbonium Ions , vol.4 , pp. 1501
    • Freedman, H.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.