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Volumn 5, Issue 20, 2003, Pages 4541-4550

Analysis of multipath transmission of spin-spin coupling constants in cyclic compounds with the help of partially spin-polarized orbital contributions

Author keywords

[No Author keywords available]

Indexed keywords

BICYCLO[1.1.1]PENTANE; CYCLOPENTANE; CYCLOPROPANE; PENTANE; TETRAHYDROFURAN; UNCLASSIFIED DRUG;

EID: 0242289239     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b304891h     Document Type: Conference Paper
Times cited : (34)

References (61)
  • 25
    • 33645226746 scopus 로고
    • (b) O. Vahtras, H. Ågren, P. Jørgensen, J. J. Aa. Jensen, T. Helgaker and J. Olsen, J. Chem. Phys., 1992, 96, 2118; 1992, 97, 9178.
    • (1992) J. Chem. Phys. , vol.97 , pp. 9178
  • 40
    • 0003617703 scopus 로고
    • Oxford University Press, New York
    • For reviews on DFT, see for example (b) R. G. Parr and W. Yang, International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989; (c) Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, Springer, Heidelberg, 1990; (d) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry, eds. J. M. Seminario and P. Politzer, Elsevier, Amsterdam, 1995; (e) Chemical Applications of Density Functional Theory, ACS Symposium Series 629, eds. B. B. Laird, R. B. Ross and T. Ziegler, American Chemical Society, Washington, DC, 1996; (f) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II, ed. D. P. Chong, World Scientific, Singapore, 1997.
    • (1989) International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules
    • Parr, R.G.1    Yang, W.2
  • 41
    • 0003442182 scopus 로고
    • Springer, Heidelberg
    • For reviews on DFT, see for example (b) R. G. Parr and W. Yang, International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989; (c) Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, Springer, Heidelberg, 1990; (d) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry, eds. J. M. Seminario and P. Politzer, Elsevier, Amsterdam, 1995; (e) Chemical Applications of Density Functional Theory, ACS Symposium Series 629, eds. B. B. Laird, R. B. Ross and T. Ziegler, American Chemical Society, Washington, DC, 1996; (f) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II, ed. D. P. Chong, World Scientific, Singapore, 1997.
    • (1990) Density Functional Methods in Chemistry
    • Labanowski, J.K.1    Andzelm, J.W.2
  • 42
    • 0003756764 scopus 로고
    • Elsevier, Amsterdam
    • For reviews on DFT, see for example (b) R. G. Parr and W. Yang, International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989; (c) Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, Springer, Heidelberg, 1990; (d) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry, eds. J. M. Seminario and P. Politzer, Elsevier, Amsterdam, 1995; (e) Chemical Applications of Density Functional Theory, ACS Symposium Series 629, eds. B. B. Laird, R. B. Ross and T. Ziegler, American Chemical Society, Washington, DC, 1996; (f) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II, ed. D. P. Chong, World Scientific, Singapore, 1997.
    • (1995) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry , vol.2
    • Seminario, J.M.1    Politzer, P.2
  • 43
    • 0242384293 scopus 로고    scopus 로고
    • ACS Symposium Series 629, American Chemical Society, Washington, DC
    • For reviews on DFT, see for example (b) R. G. Parr and W. Yang, International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989; (c) Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, Springer, Heidelberg, 1990; (d) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry, eds. J. M. Seminario and P. Politzer, Elsevier, Amsterdam, 1995; (e) Chemical Applications of Density Functional Theory, ACS Symposium Series 629, eds. B. B. Laird, R. B. Ross and T. Ziegler, American Chemical Society, Washington, DC, 1996; (f) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II, ed. D. P. Chong, World Scientific, Singapore, 1997.
    • (1996) Chemical Applications of Density Functional Theory
    • Laird, B.B.1    Ross, R.B.2    Ziegler, T.3
  • 44
    • 0004204999 scopus 로고    scopus 로고
    • World Scientific, Singapore
    • For reviews on DFT, see for example (b) R. G. Parr and W. Yang, International Series of Monographs on Chemistry 16: Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989; (c) Density Functional Methods in Chemistry, eds. J. K. Labanowski and J. W. Andzelm, Springer, Heidelberg, 1990; (d) Theoretical and Computational Chemistry, Vol. 2, Modern Density Functional Theory - A Tool for Chemistry, eds. J. M. Seminario and P. Politzer, Elsevier, Amsterdam, 1995; (e) Chemical Applications of Density Functional Theory, ACS Symposium Series 629, eds. B. B. Laird, R. B. Ross and T. Ziegler, American Chemical Society, Washington, DC, 1996; (f) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II, ed. D. P. Chong, World Scientific, Singapore, 1997.
    • (1997) Recent Advances in Computational Chemistry Vol. 1, Recent Advances in Density Functional Methods Part II , vol.1
    • Chong, D.P.1
  • 46
    • 0001168806 scopus 로고    scopus 로고
    • ed. P. v. R. Schleyer, N. L. Alinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer and P. R. Schreiner, Wiley, Chichester, UK
    • For a recent review see, D. Cremer, in Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, N. L. Alinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer and P. R. Schreiner, Wiley, Chichester, UK, vol. 3, p. 1706.
    • Encyclopedia of Computational Chemistry , vol.3 , pp. 1706
    • Cremer, D.1


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