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A study of the hydrogen bond by means of comparative calculations

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Abstract

The nature of the hydrogen bond is investigated by means of a comparative analysis of some hydrogen bonded and hydrogen-like bonded systems. It is concluded that the hydrogen bond is determined by electrostatic interaction between the proton and the region of high electron density in the neighbour molecule.

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References

  1. Kollman, P., Allen, L.: Chem. Rev.72, 283 (1972)

    Google Scholar 

  2. Dolgushin, M. D., Kruglyak, Yu. A., Pinchuk, V. M., Preprint of the Institute for Theoretical Physics, N 48 (in Russian), Kiev, 1976

  3. Morokuma, K., Pedersen, L.: J. Chem. Phys.48, 3275 (1968)

    Google Scholar 

  4. Diercksen, G.: Theoret. Chim. Acta (Berl.)21, 335 (1971)

    Google Scholar 

  5. Kollman, P., Allen, L.: Theoret. Chim. Acta (Berl.)18, 399 (1970)

    Google Scholar 

  6. Dreyfus, M., Pullman, A.: Theoret. Chim. Acta (Berl.)19, 20 (1970)

    Google Scholar 

  7. Morokuma, K.: J. Chem. Phys.55, 1236 (1971)

    Google Scholar 

  8. Diercksen, G., Kraemer, W., Roos, B.: Theoret. Chim. Acta (Berl.)36, 249 (1975)

    Google Scholar 

  9. Dolgushin, M. D.: Teoret. Eksperim. Khim. (U.S.S.R.)9, 782 (1973)

    Google Scholar 

  10. Dolgushin, M. D.: Ph.D. Thesis, Institute for Theoretical Physics of the Ukrainian Academy of Sciences, Kiev, 1973

    Google Scholar 

  11. Roos, B., Siegbahn, P.: Theoret. Chim. Acta (Berl.)17, 209 (1970)

    Google Scholar 

  12. Hankins, D., Moskowitz, J. W., Stillinger, F. H.: J. Chem. Phys.53, 4544 (1970)

    Google Scholar 

  13. Newton, M. D., Ehrenson, S.: J. Am. Chem. Soc.93, 4971 (1971)

    Google Scholar 

  14. Kollman, P., McKelvey, J., Johansson, A., Rothenberg, S.: J. Am. Chem. Soc.97, 955 (1975)

    Google Scholar 

  15. Stögard, A., Strich, A., Almlöf, J., Roos, B.: Chem. Phys.8, 405 (1975)

    Google Scholar 

  16. Pauling, L.: Nature of the chemical bond, Chap. 9 (Russian translation). “Goskhimizdat” Publishing House, Moscow-Leningrad, 1947; Coulson, C. A.: Valence, Chap. 13 (Russian translation). “Mir” Publishing House, Moscow, 1965

    Google Scholar 

  17. Sokolov, N. D.: Zh. Vsesoyuznogo Khimicheskogo Obschestva im. D. I. Mendeleeva (U.S.S.R.)17, 299 (1972)

    Google Scholar 

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Authors and Affiliations

  1. Institute for Theoretical Physics, Academy of Sciences of the Ukrainian SSR, 252130, Kiev-130, USSR

    Michael D. Dolgushin & Vladimir M. Pinchuk

Authors
  1. Michael D. Dolgushin
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  2. Vladimir M. Pinchuk
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Dolgushin, M.D., Pinchuk, V.M. A study of the hydrogen bond by means of comparative calculations. Theoret. Chim. Acta 45, 157–165 (1977). https://doi.org/10.1007/BF00552677

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  • DOI: https://doi.org/10.1007/BF00552677

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