Journal of Structural Chemistry

, Volume 24, Issue 1, pp 25–33 | Cite as

Nonempirical MO LCAO SCF calculations of the force fields and vibrational spectra of polyatomic inorganic molecules

  • V. G. Solomonik
Article

Keywords

Physical Chemistry Inorganic Chemistry Force Field Vibrational Spectrum Inorganic Molecule 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Literature Cited

  1. 1.
    P. Pulay, in: Modern Theoretical Chemistry, H. F. Schaefer III, ed., Vol. 4, Plenum Press, New York (1977) pp. 153–185.Google Scholar
  2. 2.
    P. Pulay, G. Fogarasi, F. Pang, and J. E. Boggs, J. Am. Chem. Soc.,101, No. 10, 2550 (1979).Google Scholar
  3. 3.
    P. P. Shorygin and K. Ya. Burshtein, Usp. Khim.,50, No. 8, 1345 (1981).Google Scholar
  4. 4.
    R. Jaquet, W. Kutzelnigg, and V. Staemmler, Theor. Chim. Acta,54, No. 3, 205 (1980).Google Scholar
  5. 5.
    Y. Yamaguchi and H. F. Schaefer III, J. Chem. Phys.,73, No. 5, 2310 (1980).Google Scholar
  6. 6.
    D. A. Zhogolev and V. B. Volkov, Methods, Algorithms, and Programs for Quantum-Chemical Calculations of Molecules [in Russian], Naukova Dumka, Kiev (1976).Google Scholar
  7. 7.
    J. Almlöf, USIP Report 74-29, University of Stockholm (1974).Google Scholar
  8. 8.
    V. G. Solomonik, I. G. Sazonova, and K. S. Krasnov, Teor. Éksp. Khim.,16, No. 6, 785 (1980).Google Scholar
  9. 9.
    V. G. Solomonik, V. M. Ozerova, and V. V. Sliznev, Zh. Neorg. Khim.,27, No. 7, 1636 (1982).Google Scholar
  10. 10.
    T. H. Dunning, J. Chem. Phys.,53, No. 7, 2823 (1970).Google Scholar
  11. 11.
    S. Rothenberg and H. F. Schaefer III, J. Chem. Phys.,54, No. 6, 2764 (1971).Google Scholar
  12. 12.
    S. Huzinaga, J. Chem. Phys.,42, No. 4, 1293 (1965).Google Scholar
  13. 13.
    T. H. Dunning and P. J. Hay, in: Methods of Electronic Structure Theory, H. F. Schaefer, ed., Vol. 1, Plenum Press, New York, (1977), pp. 1–27.Google Scholar
  14. 14.
    T. H. Dunning, J. Chem. Phys.,55, No. 2, 716 (1971).Google Scholar
  15. 15.
    T. H. Dunning, J. Chem. Phys.,55, No. 8, 3958 (1971).Google Scholar
  16. 16.
    J. J. Kaufman, J. Chem. Phys.,58, No. 11, 4880 (1973).Google Scholar
  17. 17.
    K. S. Krasnov, The Molecular Constants of Inorganic Compounds. A Reference Book [in Russian], Khimiya, Leningrad (1979).Google Scholar
  18. 18.
    A. J. Hebert, F. J. Lovas, C. A. Melendres, et al., J. Chem. Phys.,48, No. 6, 2824 (1968).Google Scholar
  19. 19.
    A. Snelson, J. Phys. Chem.,70, No. 10, 3208 (1966).Google Scholar
  20. 20.
    L. V. Gurvich, I. V. Veits, A. I. Medvedev, et al., The Thermodynamic Properties of Individual Substances A Reference Work in Four Volumes, 3rd edn., Revised and Expanded [in Russian], Vol. 1, Book 1, Nauka, Moscow (1978).Google Scholar
  21. 20a.
    Ibid., et al., The Thermodynamic Properties of Individual Substances. A Reference Work in Four Volumes, 3rd edn., Vol. 3, Book 1, Nauka, Moscow (1981).Google Scholar
  22. 21.
    S. G. W. Ginn, D. Johansen, and J. Overend, J. Mol. Spectr.,36, No. 3, 448 (1970).Google Scholar
  23. 22.
    S. M. Freund, E. Herbst, R. P. Mariella, and W. Klemperer, J. Chem. Phys.,56, No. 4, 1467 (1972).Google Scholar
  24. 23.
    K. Nakamoto, The Infrared Spectra of Inorganic and Coordination Compounds [Russian translation], Mir, Moscow (1966).Google Scholar
  25. 24.
    S. J. Cyvin, B. N. Cyvin, and A. Snelson, J. Phys. Chem.,74, No. 25, 4338 (1970).Google Scholar
  26. 25.
    A. Snelson, B. N. Cyvin, and S. J. Cyvin, J. Mol. Struct.,24, No. 1, 165 (1975).Google Scholar
  27. 26.
    A. I. Boldyrev, V. G. Solomonik, V. G. Zakzhevskii, and O. P. Charkin, Zh. Neorg. Khim.,25, No. 9, 2307 (1980); Chem. Phys. Lett.,73, No. 1, 58 (1980).Google Scholar
  28. 27.
    A. Snelson, J. Chem. Phys.,46, No. 9, 3652 (1967).Google Scholar
  29. 28.
    A. Snelson, B. N. Cyvin, and S. J. Cyvin, Z. Anorg. Allgem. Chem.,410, No. 2, 206 (1974).Google Scholar
  30. 29.
    A. A. Belyaeva, Summary of Candidate's Thesis, Leningrad State University, Leningrad (1978).Google Scholar
  31. 30.
    A. A. Belyaeva, M. I. Dvorkin, and L. D. Shcherba, Opt. Spektrosk.,31, No. 3, 392 (1971).Google Scholar
  32. 31.
    N. Smyrl and J. P. Devlin, J. Phys. Chem.,77, No. 26, 3067 (1973).Google Scholar
  33. 32.
    K. S. Seshadri, L. A. Nimon, and D. White, J. Mol. Spectrosc.,30, No. 1, 128 (1969).Google Scholar
  34. 33.
    S. P. Konovalov and V. G. Solomonik, Zh. Neorg. Khim. (in the press).Google Scholar
  35. 34.
    V. M. Ozerova, V. G. Solomonik, and K. S. Krasnov, Zh. Strukt. Khim.,24, No. 2 (1982).Google Scholar
  36. 35.
    V. M. Ozerova, V. G. Solomonik, and K. S. Krasnov, Zh. Neorg. Khim.,27, No. 3, 571 (1982).Google Scholar
  37. 36.
    V. G. Solomonik, V. M. Ozerova, and K. S. Krasnov, Zh. Neorg. Khim.,27, No. 2, 275 (1982).Google Scholar

Copyright information

© Plenum Publishing Corporation 1983

Authors and Affiliations

  • V. G. Solomonik

There are no affiliations available

Personalised recommendations