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Volumn 123, Issue , 2002, Pages 355-422

Electron-correlated approaches for the calculation of nmr chemical shifts

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EID: 34948905355     PISSN: 00652385     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article
Times cited : (138)

References (228)
  • 1
    • 0000572756 scopus 로고
    • edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin)
    • W. Kutzelnigg, U. Fleischer, and M. Schindler, in NMR Basic Principles and Progress, edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin, 1990), Vol. 23, p. 165.
    • (1990) NMR Basic Principles and Progress , vol.23 , pp. 165
    • Kutzelnigg, W.1    Fleischer, U.2    Schindler, M.3
  • 5
    • 19944391655 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz, and D. B. Boyd (VCH Publishers, New York)
    • D. B. Chestnut, in Reviews in Computational Chemistry, Vol. 8, edited by K. B. Lipkowitz, and D. B. Boyd (VCH Publishers, New York, 1996), p. 245.
    • (1996) Reviews in Computational Chemistry , vol.8 , pp. 245
    • Chestnut, D.B.1
  • 6
    • 0001280099 scopus 로고    scopus 로고
    • edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (Wiley, Chichester)
    • U. Fleischer, W. Kutzelnigg, and C. v. Wüllen, in Encyclopedia of Computational Chemistry, edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (Wiley, Chichester, 1998), p. 1827.
    • (1998) Encyclopedia of Computational Chemistry , pp. 1827
    • Fleischer, U.1    Kutzelnigg, W.2    Wüllen, C.V.3
  • 7
    • 0000449849 scopus 로고    scopus 로고
    • edited by D. M. Frant and R. K. Harris (Wiley, Chichester)
    • J. C. Facelli, in Encyclopedia of Nuclear Magnetic Resonance, edited by D. M. Frant and R. K. Harris (Wiley, Chichester, 1996), Vol. 7, p. 4327.
    • (1996) Encyclopedia of Nuclear Magnetic Resonance , vol.7 , pp. 4327
    • Facelli, J.C.1
  • 8
  • 10
    • 0000576481 scopus 로고    scopus 로고
    • edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (Wiley, Chichester)
    • M. Bühl, in Encyclopedia of Computational Chemistry, edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (Wiley, Chichester, 1998), p. 1835.
    • (1998) Encyclopedia of Computational Chemistry , pp. 1835
    • Bühl, M.1
  • 23
    • 0003992078 scopus 로고    scopus 로고
    • edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin)
    • R. Born and H. W. Spiess, in NMR Basic Principles and Progress, edited by P. Diehl, E. Fluck, H. Günther, R. Kosfeld, and J. Seelig (Springer, Berlin, 1997), Vol. 35, p. 1.
    • (1997) NMR Basic Principles and Progress , vol.35 , pp. 1
    • Born, R.1    Spiess, H.W.2
  • 47
    • 78751612226 scopus 로고    scopus 로고
    • Gaussian 98, Gaussian Inc., Pittsburgh, PA
    • Gaussian 98: M. J. Frisch et al., Gaussian Inc., Pittsburgh, PA, 1999.
    • (1999)
    • Frisch, M.J.1
  • 48
    • 78751611400 scopus 로고
    • Texas, University of Arkansas, Fayetteville, AR
    • Texas: P. Pulay et al. University of Arkansas, Fayetteville, AR, 1990.
    • (1990)
    • Pulay, P.1
  • 82
    • 0001348235 scopus 로고    scopus 로고
    • edited by J. Grotendorst (John von Neumann Institute for Computing, Jülich
    • See, for example, the general discussion in: J. Gauss, in Modern Methods and Algorithms of Quantum Chemistry, edited by J. Grotendorst (John von Neumann Institute for Computing, Jülich, 2000), p. 509.
    • (2000) Modern Methods and Algorithms of Quantum Chemistry , pp. 509
    • Gauss, J.1
  • 89
    • 0001100490 scopus 로고    scopus 로고
    • For a corresponding discussion focusing on coupled-cluster theory
    • For a corresponding discussion focusing on coupled-cluster theory, see T. B. Pedersen, H. Koch, and C. Hä ttig, J. Chem. Phys. 110, 8318 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 8318
    • Pedersen, T.B.1    Koch, H.2    Hättig, C.3
  • 94
    • 0000355296 scopus 로고
    • edited by D. R. Yarkony (World Scientific, Singapore)
    • See, for example, P. Pulay, in Modern Electronic Structure Theory, Part II, edited by D. R. Yarkony (World Scientific, Singapore, 1995) p. 1191.
    • (1995) Modern Electronic Structure Theory, Part II , pp. 1191
    • Pulay, P.1
  • 103
    • 0001168806 scopus 로고    scopus 로고
    • edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester)
    • For a recent review, see D. Cremer, in Encyclopedia of Computational Chemistry, edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester, 1998), p. 1706.
    • (1998) Encyclopedia of Computational Chemistry , pp. 1706
    • Cremer, D.1
  • 104
    • 84962534251 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz and D. B. Boyd (VCH Publisher, New York, 1994)
    • For recent reviews, see R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publisher, New York, 1994), Vol. 5, p. 65
    • Reviews in Computational Chemistry , vol.5 , pp. 65
    • Bartlett, R.J.1    Stanton, J.F.2
  • 107
    • 0000111526 scopus 로고    scopus 로고
    • edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester)
    • J. Gauss, in Encyclopedia of Computational Chemistry, edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester, 1998), p. 615.
    • (1998) Encyclopedia of Computational Chemistry , pp. 615
    • Gauss, J.1
  • 108
  • 111
    • 0011742858 scopus 로고
    • edited by K. P. Lawley (John Wiley & Sons, Inc., New York), Part II
    • For reviews, see H.-J. Werner, in Ab Initio Methods in Quantum Chemistry, edited by K. P. Lawley (John Wiley & Sons, Inc., New York, 1987), Part II, p. 1
    • (1987) Ab Initio Methods in Quantum Chemistry , pp. 1
    • Werner, H.-J.1
  • 112
    • 78751607577 scopus 로고
    • edited by K. P. Lawley (John Wiley & Sons, Inc., New York), Part II
    • R. Shepard, in Ab Initio Methods in Quantum Chemistry, edited by K. P. Lawley (John Wiley & Sons, Inc., New York, 1987), Part II, p. 62
    • (1987) Ab Initio Methods in Quantum Chemistry , pp. 62
    • Shepard, R.1
  • 113
    • 0000567176 scopus 로고
    • edited by K. P. Lawley (John Wiley & Sons, Inc., New York), Part II
    • B. O. Roos, in Ab Initio Methods in Quantum Chemistry, edited by K. P. Lawley (John Wiley & Sons, Inc., New York, 1987), Part II, p. 399.
    • (1987) Ab Initio Methods in Quantum Chemistry , pp. 399
    • Roos, B.O.1
  • 115
    • 0002369876 scopus 로고    scopus 로고
    • edited by R. J. Bartlett (World Scientific, Singapore)
    • P. Szalay, in Modern Ideas in Coupled-Cluster Methods, edited by R. J. Bartlett (World Scientific, Singapore, 1997), p. 81.
    • (1997) Modern Ideas in Coupled-Cluster Methods , pp. 81
    • Szalay, P.1
  • 118
    • 0001085232 scopus 로고    scopus 로고
    • edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester)
    • W. Klopper, in Encyclopedia of Computational Chemistry, edited by P.v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. Kollman, H. F. Schaefer, and P. R. Schreiner (John Wiley & Sons, Ltd., Chichester, 1998), p. 2351.
    • (1998) Encyclopedia of Computational Chemistry , pp. 2351
    • Klopper, W.1
  • 128
    • 78751632482 scopus 로고    scopus 로고
    • the GIAO-CCSD(T) calculations reported in this reference have been carried out by, (unpublished results)
    • the GIAO-CCSD(T) calculations reported in this reference have been carried out by J. F. Stanton (unpublished results).
    • Stanton, J.F.1
  • 140
    • 78751630599 scopus 로고
    • Phys. Rev. 116, 1028 (1962)
    • (1962) Phys. Rev. , vol.116 , pp. 1028
  • 156
    • 0001871197 scopus 로고
    • edited by D. R. Yarkony (World Scientific, Singapore)
    • See, for example, J. Almlöf, in Modern Electronic Structure Theory, Part I, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 110
    • (1995) Modern Electronic Structure Theory, Part I , pp. 110
    • Almlöf, J.1
  • 183
    • 78751608948 scopus 로고    scopus 로고
    • unpublished results
    • J. Gauss, unpublished results.
    • Gauss, J.1
  • 188
    • 33749838646 scopus 로고
    • For a detailed discussion, see W. H. Flygare, Chem. Rev. 74, 653 (1974)
    • (1974) Chem. Rev. , vol.74 , pp. 653
    • Flygare, W.H.1


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