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Volumn 61, Issue 3, 1997, Pages 589-601

Two-electron valence indices from the Kohn-Sham orbitals

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[No Author keywords available]

Indexed keywords


EID: 0013602930     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)61:3<589::AID-QUA28>3.0.CO;2-2     Document Type: Article
Times cited : (273)

References (35)
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    • M. S. Gopinathan and K. Jug, Theor. Chim. Acta 63, 497, 511 (1983); K. Jug, in Molecules in Physics, Chemistry and Biology, Vol. III, J. Maruani, Ed. (Kluwer, Dordrecht, 1989), p. 149; K. Jug and M. S. Gopinathan, in Theoretical Models of Chemical Bonding, Z. B. Maksić, Ed. (Springer, Heidelberg, 1990), Vol. 2, p. 77, and references therein.
    • (1983) Theor. Chim. Acta , vol.63 , pp. 497
    • Gopinathan, M.S.1    Jug, K.2
  • 5
    • 85047668974 scopus 로고
    • J. Maruani, Ed. Kluwer, Dordrecht
    • M. S. Gopinathan and K. Jug, Theor. Chim. Acta 63, 497, 511 (1983); K. Jug, in Molecules in Physics, Chemistry and Biology, Vol. III, J. Maruani, Ed. (Kluwer, Dordrecht, 1989), p. 149; K. Jug and M. S. Gopinathan, in Theoretical Models of Chemical Bonding, Z. B. Maksić, Ed. (Springer, Heidelberg, 1990), Vol. 2, p. 77, and references therein.
    • (1989) Molecules in Physics, Chemistry and Biology , vol.3 , pp. 149
    • Jug, K.1
  • 6
    • 85047668974 scopus 로고
    • Z. B. Maksić, Ed. Springer, Heidelberg, and references therein
    • M. S. Gopinathan and K. Jug, Theor. Chim. Acta 63, 497, 511 (1983); K. Jug, in Molecules in Physics, Chemistry and Biology, Vol. III, J. Maruani, Ed. (Kluwer, Dordrecht, 1989), p. 149; K. Jug and M. S. Gopinathan, in Theoretical Models of Chemical Bonding, Z. B. Maksić, Ed. (Springer, Heidelberg, 1990), Vol. 2, p. 77, and references therein.
    • (1990) Theoretical Models of Chemical Bonding , vol.2 , pp. 77
    • Jug, K.1    Gopinathan, M.S.2
  • 7
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    • I. Mayer, Chem. Phys. Lett. 97, 270 (1983); Ibid., Theor. Chim. Acta 67, 315 (1985), and references therein.
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    • Mayer, I.1
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    • Ibid., and references therein
    • I. Mayer, Chem. Phys. Lett. 97, 270 (1983); Ibid., Theor. Chim. Acta 67, 315 (1985), and references therein.
    • (1985) Theor. Chim. Acta , vol.67 , pp. 315
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    • A. B. Sannigrahi and T. Kar, Chem. Phys. Lett. 173, 569 (1990); T. Kar and E. S. Marcos, Ibid. 192, 14 (1992).
    • (1992) Chem. Phys. Lett. , vol.192 , pp. 14
    • Kar, T.1    Marcos, E.S.2
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    • 0002144317 scopus 로고
    • G. N. Lewis, J. Am. Chem. Soc. 38, 762 (1916); Ibid., J. Phys. Chem. 1, 17 (1933).
    • (1916) J. Am. Chem. Soc. , vol.38 , pp. 762
    • Lewis, G.N.1
  • 26
    • 0002144317 scopus 로고
    • Ibid.
    • G. N. Lewis, J. Am. Chem. Soc. 38, 762 (1916); Ibid., J. Phys. Chem. 1, 17 (1933).
    • (1933) J. Phys. Chem. , vol.1 , pp. 17
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    • University of California, Berkeley, Program QGO
    • M. Dupuis, D. Spangler, and J. J. Wendoloski, National Resource for Computations in Chemistry Software Catalog (University of California, Berkeley, 1980), Program QGO; M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. J. Windus, and S. T. Elbert, QCPE Bull. 10, 52 (1990); see also General Atomic and Molecular Electronic Structure System GAMESS: User's Guide (North Dakota State University, Fargo, and Iowa State University, Ames).
    • (1980) National Resource for Computations in Chemistry Software Catalog
    • Dupuis, M.1    Spangler, D.2    Wendoloski, J.J.3
  • 29
    • 0001968788 scopus 로고
    • M. Dupuis, D. Spangler, and J. J. Wendoloski, National Resource for Computations in Chemistry Software Catalog (University of California, Berkeley, 1980), Program QGO; M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. J. Windus, and S. T. Elbert, QCPE Bull. 10, 52 (1990); see also General Atomic and Molecular Electronic Structure System GAMESS: User's Guide (North Dakota State University, Fargo, and Iowa State University, Ames).
    • (1990) QCPE Bull. , vol.10 , pp. 52
    • Schmidt, M.W.1    Baldridge, K.K.2    Boatz, J.A.3    Jensen, J.H.4    Koseki, S.5    Gordon, M.S.6    Nguyen, K.A.7    Windus, T.J.8    Elbert, S.T.9
  • 30
    • 0042201400 scopus 로고    scopus 로고
    • North Dakota State University, Fargo, and Iowa State University, Ames
    • M. Dupuis, D. Spangler, and J. J. Wendoloski, National Resource for Computations in Chemistry Software Catalog (University of California, Berkeley, 1980), Program QGO; M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koseki, M. S. Gordon, K. A. Nguyen, T. J. Windus, and S. T. Elbert, QCPE Bull. 10, 52 (1990); see also General Atomic and Molecular Electronic Structure System GAMESS: User's Guide (North Dakota State University, Fargo, and Iowa State University, Ames).
    • General Atomic and Molecular Electronic Structure System GAMESS: User's Guide
  • 33
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    • Plenum Press, New York
    • V. Gutmann, The Donor - Acceptor Approach to Molecular Interactions (Plenum Press, New York, 1978); see also R. F. Nalewajski, J. Korchowiec, and A. Michalak, in Topics in Current Chemistry: Density Functional Theory: IV, R. F. Nalewajski, Ed. (Springer-Verlag, Heidelberg, in press).
    • (1978) The Donor - Acceptor Approach to Molecular Interactions
    • Gutmann, V.1


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