Skip to main content
Log in

Comparison of orbitally stoichiometric-cluster and cyclic-cluster models in the example case of the calculation of the electronic structure of silica

  • 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

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

Instant access to the full article PDF.

Literature Cited

  1. G. M. Zhidomirov and I. D. Mikheikin, Results of Science and Technology. Molecular Structure and Chemical Bonding Series [in Russian], VINITI, Moscow (1984).

    Google Scholar 

  2. R. A. Évarestov, Quantum-Chemical Methods in Solid-State Theory [in Russian], Izd-vo LGU, Leningrad (1982).

    Google Scholar 

  3. R. A. Évarestov, E. A. Kotomin, and A. N. Ermoshkin, Molecular Models of Point Defects in Broad-Band Solids [in Russian], Zinatne, Riga (1983).

    Google Scholar 

  4. H. H. Dunken and V. I. Lygin, Quantenchemie der Adsorption an Festkoerperoberflaechen, Verlag Chemie, Weinheim (1978).

    Google Scholar 

  5. B. McCarrol and R. Messmer, Surf. Sci.,27, 451 (1971).

    Google Scholar 

  6. A. O. Litinskii, L.-M. Z. Balyavichyus, and I. V. Batarunas, in: Spectroscopy. Methods and Applications. Proceedings of the Sixth Siberian Conference on Spectroscopy [in Russian], Nauka, Moscow (1973), p. 204.

    Google Scholar 

  7. A. Zunger, J. Chem. Phys.,62, 1861 (1975).

    Google Scholar 

  8. A. Zunger and A. Katzir, Phys. Rev., B,11, 2378 (1975).

    Google Scholar 

  9. A. O. Litinskii, Zh. Strukt. Khim.,23, 40 (1982); ibid. A. O. Litinskii, Zh. Strukt. Khim.,48 (1982); ibid. A. O. Litinskii, Zh. Strukt. Khim.,26 (1985).

    Google Scholar 

  10. A. O. Litinskii and I. P. Zakharov, Teor. Éksp. Khim.,22 (1986).

  11. J. M. Sichel and M. A. Whitehead, Theor. Chim. Acta,11, 220 (1968).

    Google Scholar 

  12. A. O. Litinskii and A. S. Zyubin, Zh. Strukt. Khim.,25, 11 (1984).

    Google Scholar 

  13. A. O. Litinskii and I. P. Zakharov, Kinet. Katal.,26, 296 (1985).

    Google Scholar 

  14. A. O. Litinskii and I. P. Zakharov, Teor. Ésp. Khim.,22 (1986).

  15. I. P. Zakharov and A. O. Litinskii, Zh. Strukt. Khim.,24, 111 (1983).

    Google Scholar 

  16. I. P. Zakharov, A. O. Litinskii, and V. A. Tolstonogov, Zh. Strukt. Khim.,25, 182 (1984).

    Google Scholar 

  17. V. A. Gubanov, V. P. Zhukov, and A. O. Litinskii, Semiempirical Molecular Orbital Methods in Quantum Chemistry [in Russian], Nauka, Moscow (1976).

    Google Scholar 

  18. I. P. Zakharov, A. O. Litinskii, and L.-M. Z. Balyavichyus, Teor. Éksp. Khim.,18, 16 (1982).

    Google Scholar 

  19. J. Q. Broughton and P. S. Bagus, Electron Spectrosc. Related Phenomena,20, 261 (1980).

    Google Scholar 

  20. C. Pisani, Phys. Rev., B,17, 3143 (1978).

    Google Scholar 

  21. C. Pisani, R. Dovesi, and P. Ugliengo, Phys. Stat. Sol. (b),116, 249 (1982).

    Google Scholar 

  22. I. V. Abarenkov, A. V. Amosov, V. F. Bratsev, and D. M. Yudin, Phys. Stat. Sol. (a),2, 865 (1970).

    Google Scholar 

  23. L.-M. Z. Balyavichus, I. P. Zakharov, and A. O. Litinskii, Litovsk. Fiz. Sb.,23, 46 (1983).

    Google Scholar 

  24. I. A. Brytov and Yu. N. Romashchenko, Fiz. Tverd. Tela,20, 2843 (1978).

    Google Scholar 

Download references

Authors

Additional information

Translated from Zhurnal Strukturnoi Khimii, Vol. 27, No. 4, pp. 18–23, July–August, 1986.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Litinskii, A.O., Zakharov, I.P. & Tolstonogov, V.A. Comparison of orbitally stoichiometric-cluster and cyclic-cluster models in the example case of the calculation of the electronic structure of silica. J Struct Chem 27, 517–521 (1987). https://doi.org/10.1007/BF00753996

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00753996

Keywords

Navigation