Skip to main content
SpringerLink
Log in

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

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Literature Cited

  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. P. Pulay, G. Fogarasi, F. Pang, and J. E. Boggs, J. Am. Chem. Soc.,101, No. 10, 2550 (1979).

    Google Scholar 

  3. P. P. Shorygin and K. Ya. Burshtein, Usp. Khim.,50, No. 8, 1345 (1981).

    Google Scholar 

  4. R. Jaquet, W. Kutzelnigg, and V. Staemmler, Theor. Chim. Acta,54, No. 3, 205 (1980).

    Google Scholar 

  5. Y. Yamaguchi and H. F. Schaefer III, J. Chem. Phys.,73, No. 5, 2310 (1980).

    Google Scholar 

  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. J. Almlöf, USIP Report 74-29, University of Stockholm (1974).

  8. V. G. Solomonik, I. G. Sazonova, and K. S. Krasnov, Teor. Éksp. Khim.,16, No. 6, 785 (1980).

    Google Scholar 

  9. V. G. Solomonik, V. M. Ozerova, and V. V. Sliznev, Zh. Neorg. Khim.,27, No. 7, 1636 (1982).

    Google Scholar 

  10. T. H. Dunning, J. Chem. Phys.,53, No. 7, 2823 (1970).

    Google Scholar 

  11. S. Rothenberg and H. F. Schaefer III, J. Chem. Phys.,54, No. 6, 2764 (1971).

    Google Scholar 

  12. S. Huzinaga, J. Chem. Phys.,42, No. 4, 1293 (1965).

    Google Scholar 

  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. T. H. Dunning, J. Chem. Phys.,55, No. 2, 716 (1971).

    Google Scholar 

  15. T. H. Dunning, J. Chem. Phys.,55, No. 8, 3958 (1971).

    Google Scholar 

  16. J. J. Kaufman, J. Chem. Phys.,58, No. 11, 4880 (1973).

    Google Scholar 

  17. K. S. Krasnov, The Molecular Constants of Inorganic Compounds. A Reference Book [in Russian], Khimiya, Leningrad (1979).

    Google Scholar 

  18. A. J. Hebert, F. J. Lovas, C. A. Melendres, et al., J. Chem. Phys.,48, No. 6, 2824 (1968).

    Google Scholar 

  19. A. Snelson, J. Phys. Chem.,70, No. 10, 3208 (1966).

    Google Scholar 

  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. 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. S. G. W. Ginn, D. Johansen, and J. Overend, J. Mol. Spectr.,36, No. 3, 448 (1970).

    Google Scholar 

  23. S. M. Freund, E. Herbst, R. P. Mariella, and W. Klemperer, J. Chem. Phys.,56, No. 4, 1467 (1972).

    Google Scholar 

  24. K. Nakamoto, The Infrared Spectra of Inorganic and Coordination Compounds [Russian translation], Mir, Moscow (1966).

    Google Scholar 

  25. S. J. Cyvin, B. N. Cyvin, and A. Snelson, J. Phys. Chem.,74, No. 25, 4338 (1970).

    Google Scholar 

  26. A. Snelson, B. N. Cyvin, and S. J. Cyvin, J. Mol. Struct.,24, No. 1, 165 (1975).

    Google Scholar 

  27. 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. A. Snelson, J. Chem. Phys.,46, No. 9, 3652 (1967).

    Google Scholar 

  29. A. Snelson, B. N. Cyvin, and S. J. Cyvin, Z. Anorg. Allgem. Chem.,410, No. 2, 206 (1974).

    Google Scholar 

  30. A. A. Belyaeva, Summary of Candidate's Thesis, Leningrad State University, Leningrad (1978).

    Google Scholar 

  31. A. A. Belyaeva, M. I. Dvorkin, and L. D. Shcherba, Opt. Spektrosk.,31, No. 3, 392 (1971).

    Google Scholar 

  32. N. Smyrl and J. P. Devlin, J. Phys. Chem.,77, No. 26, 3067 (1973).

    Google Scholar 

  33. K. S. Seshadri, L. A. Nimon, and D. White, J. Mol. Spectrosc.,30, No. 1, 128 (1969).

    Google Scholar 

  34. S. P. Konovalov and V. G. Solomonik, Zh. Neorg. Khim. (in the press).

  35. V. M. Ozerova, V. G. Solomonik, and K. S. Krasnov, Zh. Strukt. Khim.,24, No. 2 (1982).

  36. V. M. Ozerova, V. G. Solomonik, and K. S. Krasnov, Zh. Neorg. Khim.,27, No. 3, 571 (1982).

    Google Scholar 

  37. V. G. Solomonik, V. M. Ozerova, and K. S. Krasnov, Zh. Neorg. Khim.,27, No. 2, 275 (1982).

    Google Scholar 

Download references

Authors
  1. V. G. Solomonik
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Proceedings of the Second All-Union Conference on the Study of the Structure of Molecules in the Gas Phase.

Ivanovo Institute of Chemical Technology. Translated from Zhurnal Strukturnoi Khimii, Vol. 24, No. 1, pp. 29–38, January–February, 1983.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Solomonik, V.G. Nonempirical MO LCAO SCF calculations of the force fields and vibrational spectra of polyatomic inorganic molecules. J Struct Chem 24, 25–33 (1983). https://doi.org/10.1007/BF00735189

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00735189

Keywords

Search

Navigation