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Program for calculating the macroscopic properties of a substance via the MINDO/3 semiempirical approximation

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Literature Cited

  1. R. C. Bingham, M. J. S. Dewar, and D. H. Lo, J. Amer. Chem. Soc.,97, 1285 (1975).

    Google Scholar 

  2. M. J. S. Dewar, Chem. Brit.,11, 97 (1975).

    Google Scholar 

  3. “Information on programs for quantum-chemical calculations on the electron structures of molecular system,” Zh. Strukt. Khim.,23, 170 (1982).

  4. M. J. S. Dewar, J. A. Hashmall, and C. G. Venier, J. Amer. Chem. Soc.,90, 1953 (1968).

    Google Scholar 

  5. J. A. Pople and R. N. Nesbet, J. Chem. Phys.,22, 571 (1954).

    Google Scholar 

  6. W. C. Davidon, Comput. J.,10, 406 (1968).

    Google Scholar 

  7. M. V. Bazilevskii and A. G. Shamov, Dokl. ANSSSR,257, 131 (1981).

    Google Scholar 

  8. J. W. McIver and A. Komornicki, J. Amer. Chem. Soc.,94, 2625 (1972).

    Google Scholar 

  9. J. N. Murrell and K. J. Laidler, Trans. Faraday. Soc.,64, 371 (1968).

    Google Scholar 

  10. E. Wilson, J. Deshius, and P. Cross, Theory of Molecular Vibrational Spectra [Russian translation], Izd. Inostr. Lit., Moscow (1960).

    Google Scholar 

  11. G. Herzberg, The Vibrational and Rotational Spectra of Polyatomic Molecules [Russian translation], Izd. Inostr. Lit., Moscow (1949).

    Google Scholar 

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Additional information

Those interested in obtaining the program can write to V. V. Lobanov at, the following address: 252028, Kiev 28, Prospekt Nauki 31, Institute of Physical Chemistry.

Pisarzhevskii Institute of Physical Chemistry, Academy of Sciences of the Ukrainian SSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 26, No. 6, pp. 128–129, November–December, 1985.

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Lobanov, V.V. Program for calculating the macroscopic properties of a substance via the MINDO/3 semiempirical approximation. J Struct Chem 26, 942–943 (1985). https://doi.org/10.1007/BF00748367

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  • DOI: https://doi.org/10.1007/BF00748367

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