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Volumn 398-399, Issue , 1997, Pages 73-80

Electron correlation effects on the calculated 13C NMR spectra of vinyl cations

Author keywords

Coupled cluster methods; Electron correlation; NMR chemical shift calculations; Vinyl cations

Indexed keywords


EID: 4243832525     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04926-3     Document Type: Article
Times cited : (22)

References (37)
  • 1
    • 0003739380 scopus 로고
    • Academic Press, New York
    • For reviews, see P.J. Stang, Z. Rappoport, M. Hanack, and L.R. Subramanian, Vinyl Cations, Academic Press, New York, 1979; M. Hanack and L.R. Subramanian, in M. Hanack, Houben-Weyl Methoden der Organischen Chemie, Vol. E19c, Thieme, Stuttgart, 1990, p. 97; H.-U. Siehl, in G.K.S. Prakash and P. von R. Schleyer (Eds.), Stable Carbocation Chemistry, Wiley, New York, 1996, ch. 5, p. 165.
    • (1979) Vinyl Cations
    • Stang, P.J.1    Rappoport, Z.2    Hanack, M.3    Subramanian, L.R.4
  • 2
    • 0343410988 scopus 로고
    • M. Hanack, Thieme, Stuttgart
    • For reviews, see P.J. Stang, Z. Rappoport, M. Hanack, and L.R. Subramanian, Vinyl Cations, Academic Press, New York, 1979; M. Hanack and L.R. Subramanian, in M. Hanack, Houben-Weyl Methoden der Organischen Chemie, Vol. E19c, Thieme, Stuttgart, 1990, p. 97; H.-U. Siehl, in G.K.S. Prakash and P. von R. Schleyer (Eds.), Stable Carbocation Chemistry, Wiley, New York, 1996, ch. 5, p. 165.
    • (1990) Houben-Weyl Methoden der Organischen Chemie , vol.E19C , pp. 97
    • Hanack, M.1    Subramanian, L.R.2
  • 3
    • 0008729295 scopus 로고    scopus 로고
    • G.K.S. Prakash and P. von R. Schleyer (Eds.), Wiley, New York, ch. 5
    • For reviews, see P.J. Stang, Z. Rappoport, M. Hanack, and L.R. Subramanian, Vinyl Cations, Academic Press, New York, 1979; M. Hanack and L.R. Subramanian, in M. Hanack, Houben-Weyl Methoden der Organischen Chemie, Vol. E19c, Thieme, Stuttgart, 1990, p. 97; H.-U. Siehl, in G.K.S. Prakash and P. von R. Schleyer (Eds.), Stable Carbocation Chemistry, Wiley, New York, 1996, ch. 5, p. 165.
    • (1996) Stable Carbocation Chemistry , pp. 165
    • Siehl, H.-U.1
  • 16
    • 0000572756 scopus 로고
    • P. Diehl, E. Fluck, H. Günther, R. Kosfeld and J. Seelig (Eds.), Springer, Berlin
    • See, for example, W. Kutzelnigg, U. Fleischer and M. Schindler, in P. Diehl, E. Fluck, H. Günther, R. Kosfeld and J. Seelig (Eds.), NMR: Basic Principles and Progress, Vol. 23, Springer, Berlin 1990, p. 165; P. Buzek, P. von R. Schleyer and S. Sieber, Chemie in unserer Zeit, 26 (1992) 116; J. Gauss, Ber. Bunsenges. Phys. Chem., 99 (1995) 1001.
    • (1990) NMR: Basic Principles and Progress , vol.23 , pp. 165
    • Kutzelnigg, W.1    Fleischer, U.2    Schindler, M.3
  • 17
    • 84984379161 scopus 로고
    • See, for example, W. Kutzelnigg, U. Fleischer and M. Schindler, in P. Diehl, E. Fluck, H. Günther, R. Kosfeld and J. Seelig (Eds.), NMR: Basic Principles and Progress, Vol. 23, Springer, Berlin 1990, p. 165; P. Buzek, P. von R. Schleyer and S. Sieber, Chemie in unserer Zeit, 26 (1992) 116; J. Gauss, Ber. Bunsenges. Phys. Chem., 99 (1995) 1001.
    • (1992) Chemie in Unserer Zeit , vol.26 , pp. 116
    • Buzek, P.1    Schleyer, P.V.R.2    Sieber, S.3
  • 18
    • 0000887063 scopus 로고
    • See, for example, W. Kutzelnigg, U. Fleischer and M. Schindler, in P. Diehl, E. Fluck, H. Günther, R. Kosfeld and J. Seelig (Eds.), NMR: Basic Principles and Progress, Vol. 23, Springer, Berlin 1990, p. 165; P. Buzek, P. von R. Schleyer and S. Sieber, Chemie in unserer Zeit, 26 (1992) 116; J. Gauss, Ber. Bunsenges. Phys. Chem., 99 (1995) 1001.
    • (1995) Ber. Bunsenges. Phys. Chem. , vol.99 , pp. 1001
    • Gauss, J.1
  • 19
    • 0000045224 scopus 로고
    • J. Gauss, Chem. Phys. Letters, 191 (1992) 614; J. Gauss, J. Chem. Phys., 99 (1993) 3629.
    • (1992) Chem. Phys. Letters , vol.191 , pp. 614
    • Gauss, J.1
  • 20
    • 9444290281 scopus 로고
    • J. Gauss, Chem. Phys. Letters, 191 (1992) 614; J. Gauss, J. Chem. Phys., 99 (1993) 3629.
    • (1993) J. Chem. Phys. , vol.99 , pp. 3629
    • Gauss, J.1
  • 23
    • 36449001997 scopus 로고
    • J. Gauss and J.F. Stanton, J. Chem. Phys., 102 (1995) 251; J. Gauss and J.F. Stanton, J. Chem. Phys., 103 (1995) 3562.
    • (1995) J. Chem. Phys. , vol.102 , pp. 251
    • Gauss, J.1    Stanton, J.F.2
  • 24
    • 36449001997 scopus 로고
    • J. Gauss and J.F. Stanton, J. Chem. Phys., 102 (1995) 251; J. Gauss and J.F. Stanton, J. Chem. Phys., 103 (1995) 3562.
    • (1995) J. Chem. Phys. , vol.103 , pp. 3562
    • Gauss, J.1    Stanton, J.F.2
  • 31
    • 30244509398 scopus 로고    scopus 로고
    • Cartesian polarization functions have been used with α(d) = 0.8 for carbon and α(p) = 0.8 for hydrogen
    • Cartesian polarization functions have been used with α(d) = 0.8 for carbon and α(p) = 0.8 for hydrogen.
  • 32
    • 40749094858 scopus 로고
    • R. Ditchfield, Mol. Phys., 27 (1974) 789; K. Wolinksi, J.F. Hinton and P. Pulay, J. Am. Chem. Soc., 112 (1990) 8251.
    • (1974) Mol. Phys. , vol.27 , pp. 789
    • Ditchfield, R.1


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