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Nonempirical calculation of surface area of potential energy of ammonium ion

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

Conclusions

  1. 1.

    The surface areas of the potential energy for the reaction of forming ammonium ion were calculated employing the SCF MO LCAO method on an expanded STO-4GTO basis.

  2. 2.

    The optimum value of the length of the N−H bond in the ammonium ion was determined (1.965 at. units), and is in good agreement with experiment.

  3. 3.

    A value of 211.8 kcal/mole was obtained for the proton affinity of the ammonia molecule, which practically coincides with the experimental value.

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Literature Cited

  1. N. M. Vitkovskaya, I. Ts. Lyast, and Yu. L. Frolov, Zh. Strukt. Khim.,13, 351 (1972).

    CAS  Google Scholar 

  2. R. Stewert, J. Chem. Phys.,50, 2485 (1969).

    Article  Google Scholar 

  3. A. Rauk, L. C. Allen, and E. Clementi, J. Chem. Phys.,52, 4133 (1970).

    Article  CAS  Google Scholar 

  4. R. M. Stevens, J. Chem. Phys.,55, 1725 (1971).

    Article  CAS  Google Scholar 

  5. E. A. Laws, R. M. Stevens, and W. H. Lipscomb, J. Chem. Phys.,56, 2029 (1972).

    Article  CAS  Google Scholar 

  6. J. D. Petke and J. L. Whitten, J. Chem. Phys.,59, 4855 (1973).

    Article  CAS  Google Scholar 

  7. D. P. Chong, F. G. Herring, and D. McWilliams, J. Chem. Phys.,61, 78 (1974).

    Article  CAS  Google Scholar 

  8. L. C. Snyder, J. Chem. Phys.,6, 3602 (1967).

    Article  Google Scholar 

  9. J. A. Ivens and D. P. Stevenson, J. Chem. Phys.,28, 929 (1958).

    Article  Google Scholar 

  10. M. A. Haney and J. L. Franklin, J. Phys. Chem.,73, 4328 (1969).

    Article  CAS  Google Scholar 

  11. A. J. Hannson, P. A. Kollman, J. F. Liebman, and S. rothenberg, J. Am. Chem. Soc.,96 3750 (1974).

    Article  Google Scholar 

  12. A. C. Hopkinson and I. G. Csizmadia, Theor. Chim. Acta,34, 93 (1974).

    Article  CAS  Google Scholar 

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Authors
  1. O. Yu. Dolgunicheva
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  2. N. M. Vitkovskaya
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  3. G. V. Patovskii
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  4. V. B. Mantsivoda
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  5. Yu. L. Frolov
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Additional information

Irkutsk Institute of Organic Chemistry, Siberian Branch of the Academy of Sciences of the USSR, A. A. Zhdanov Irkutsk State University. Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 10, pp. 2367–2369, October, 1976.

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Dolgunicheva, O.Y., Vitkovskaya, N.M., Patovskii, G.V. et al. Nonempirical calculation of surface area of potential energy of ammonium ion. Russ Chem Bull 25, 2210–2212 (1976). https://doi.org/10.1007/BF02659555

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  • DOI: https://doi.org/10.1007/BF02659555

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