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Ab initio SCF MO study of hydrogen bonds between H2S and H2O molecules

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Abstract

The hydrogen bonds between H2S and H2O molecules are calculated through anab initio, LCAO MO SCF method using a Gaussian type orbital double-zeta basis set. The capacity of the H2S molecule to act as an electron acceptor is confirmed.

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References

  1. Szent-Györgyi, A.: Electronic biology and cancer. M. Dekker Inc. 1976

  2. Szent-Györgyi, A.: Intern. J. Quantum Chem. QBS3, 45 (1976)

    Google Scholar 

  3. Otto, P., Suhai, S., Ladik, J.: Intern. J. Quantum Chem.QBS4, 451 (1977)

    Google Scholar 

  4. Westhaus, P., Pohl, H. A.: J. Theoret. Biol. (in press)

  5. Proctor, J. F., Thayer, V. R.: Chem. Eng. Progr.58, 58 (1962)

    Google Scholar 

  6. Pineda, J., Novaro, O.: work in progress

  7. Popkie, H., Kistenmacher, H., Clementi, E.: J. Chem. Phys.59, 1325 (1973); Lie, G. C., Clementi, E.: J. Chem. Phys.60, 1275 (1974); Kistenmacher H., Popkie, H., Clementi, E., Wath, O.: J. Chem. Phys.60, 4455 (1974)

    Article  CAS  Google Scholar 

  8. Almlöf, J.: Second Proc. Seminar Comput. Problems Quantum Chem. Strasbourg, France 1972 (1973), p. 14

  9. Hehenberger, M.: Technical Note TF 449 of the Quantum Theory Project, University of Florida (1977)

  10. Roos, B., Siegbahn, P.: Theoret. Chim. Acta (Berl.)17, 199 (1970)

    Article  CAS  Google Scholar 

  11. Van Duijneveldt, F. B.: IBM Research Rept. R.J. 945 (1971)

  12. Huzinaga, S.: J. Chem. Phys.42, 1293 (1965)

    Article  Google Scholar 

  13. Clementi, E.: personal communication

  14. Interatomic Distance Supplement, Special Publication N ° 13. London: The Chemical Society 1965

  15. Richards, W. G., Walker, T. E. H., Hinkley, R. K.: A bibliography ofab initio molecular wave function. Oxford: University Press 1971; Richards, W. G., Walker, T. E. H., Farnell, L., Scott, P. R.: A bibliography ofab initio moleculare wavefunctions, Supplement. Oxford: University Press 1974

    Google Scholar 

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

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Division de Estudios Superiores, Facultad de Química, Universidad National Autónoma de México, Mexico 20, D.F.

    Guillermo del Conde P.

  2. Instituto de Fisica, Universidad Nacional Autónoma de México, Apdo. Postal 20-364, México 20, D.F.

    Octavio A. Novaro

Authors
  1. Guillermo del Conde P.
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  2. Octavio A. Novaro
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Consultant of the Instituto Mexicano del Petróleo.

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del Conde P., G., Novaro, O.A. Ab initio SCF MO study of hydrogen bonds between H2S and H2O molecules. Theoret. Chim. Acta 51, 79–83 (1979). https://doi.org/10.1007/BF02399132

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  • DOI: https://doi.org/10.1007/BF02399132

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