Skip to main content
Log in

The MNDO-85 system of programs for calculating the electronic structure, physicochemical properties, and reactivity of molecular systems by the MDNO, MNDOC, and AM1 semiepirical methods

  • Brief Communications
  • 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. M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc.,99, No. 15, 4907 (1977).

    Google Scholar 

  2. W. Thiel, J. Am. Chem. Soc.,103, No. 6, 1413 (1981).

    Google Scholar 

  3. M. J. S. Dewar, E. G. Zoebisch, E. F. Healy, and J. J. P. Stewart, J. Am. Chem. Soc.,107, No. 13, 3902 (1985).

    Google Scholar 

  4. M. J. S. Dewar, E. F. Healy, and J. J. P. Stewart, J. Comp. Chem.,5, No. 4, 358 (1984).

    Google Scholar 

  5. M. J. S. Dewar, G. L. Grady, and J. J. P. Stewart, J. Am. Chem. Soc.,106, 6771 (1984).

    Google Scholar 

  6. K. Ya. Burshtein and A. N. Isaev, Zh. Strukt. Khim.,27, No. 3, 3 (1986).

    Google Scholar 

  7. C. Zhixing, Theor. Chim. Acta,66, 365 (1985).

    Google Scholar 

  8. W. Thiel, Quant. Chem. Progr. Exch.,12, 353 (1980).

    Google Scholar 

  9. Information on the Specialized Pool of Quantum-Chemical Programs of the Siberian Branch of the Academy of Sciences of the USSR [in Russian], No. 2, IKhKiG SO Akad. Nauk SSSR, Novosibirsk (1985).

  10. A. A. Voityuk, Zh. Strukt. Khim.,24, No. 3, 18 (1983).

    Google Scholar 

  11. A. Halgrun and N. Lipscomb, Chem. Phys. Lett.,49, No. 2, 225 (1977).

    Google Scholar 

  12. A. A. Voityuk and L. N. Mazalov, Zh. Strukt. Khim.,23, No. 1, 61 (1982).

    Google Scholar 

  13. P. K. Mehrotra, Theor. Chim. Acta,46, 325 (1977).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Additional information

Translated from Zhurnal Strukturnoi Khimii, Vol. 27, No. 4, pp. 190–191, July–August, 1986.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Bliznyuk, A.A., Voityuk, A.A. The MNDO-85 system of programs for calculating the electronic structure, physicochemical properties, and reactivity of molecular systems by the MDNO, MNDOC, and AM1 semiepirical methods. J Struct Chem 27, 674–676 (1987). https://doi.org/10.1007/BF00754027

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00754027

Keywords

Navigation