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Calculation of molecular energy indices by the bond interaction method

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

Parameters were determined for an interacting bond model for hydrocarbons and oxygen- and sulfur-containing organic molecules. The parameters obtained were used to calculate the homolytic bond dissociation energies and molecular formation energies.

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Literature cited

  1. O. Sinanoglu, The Multielectronic Theory of Atoms, Molecules and Their Interactions [Russian translation], Mir, Moscow (1966).

    Google Scholar 

  2. N. G. Rambidi, N. F. Stepanov, and A. I. Dement'ev, Advances in Science and Technology, Molecular Structure and the Chemical Bond [in Russian], Vol.7, VINITI, Moscow (1979), p. 5.

    Google Scholar 

  3. P. R. Surjan, Croat. Chem. Acta.,52, 833 (1984).

    Google Scholar 

  4. N. N. Bulgakov, Yu. A. Borisov, and V. V. Popovskii, Kinet. Katal.,14, 468 (1973).

    Google Scholar 

  5. S. Kh. Dotdaev, Yu. A. Borisov, V. A. Sergeev, and V. I. Nedel'kin, Abstracts of the 7th All-Union Conference on the Use of Computers in Chemical Research [in Russian], Riga (1986).

  6. V. A. Sergeev, S. Kh. Dotdaev, V. I. Nedel'kin, and Yu. A. Borisov, Dokl. Akad. Nauk SSSR,294, 407 (1987).

    Google Scholar 

  7. V. A. Sergeev, S. Kh. Dotdaev, V. I. Nedel'kin, and Yu. A. Borisov, Vysokomol. Soedin.,A30, 64 (1988).

    Google Scholar 

  8. V. A. Sergeev, S. Kh. Dotdaev, V. I. Nedel'kin, and Yu. A. Borisov, Vysokomol. Soedin.,A30, 128 (1988).

    Google Scholar 

  9. D. Himmelblau, Applied Nonlinear Programming, McGraw, New York (1972).

    Google Scholar 

  10. L. V. Gurvich, G. V. Karachevtsev, V. N. Kondrat'ev, et al., Handbook on Chemical Bond Dissociation Energies, Ionization Potentials, and Electron Affinities [in Russian], Izd. Nauka, Moscow (1974).

    Google Scholar 

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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1680–1683, July, 1988.

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Dotdaev, S.K., Borisov, Y.A. Calculation of molecular energy indices by the bond interaction method. Russ Chem Bull 37, 1494–1496 (1988). https://doi.org/10.1007/BF00962771

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  • DOI: https://doi.org/10.1007/BF00962771

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