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Molecular models of aluminum hydroxide

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Abstract

A method is presented for taking into account the boundary conditions in cluster models of crystal structures containing aluminum atoms in the octahedral oxygen environment. The method of modified neglect of diatomic overlap (MNDO) was used to calculate energy and geometric characteristics of molecular models of the elementary layer of the aluminum hydroxide crystal.

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Literature cited

  1. G. M. Zhidomirov and I. D.Mikheikin, Results of Science and Technology: Molecular Structure and Chemical Bonding Series, Vol. 9: Cluster Approximation in Quantum-Chemical Investigations of Chemisorption and Surface Structure [in Russian], All-Union Institute of Scientific and Technical Information, Moscow (1984).

    Google Scholar 

  2. N. N. Il'chenko, A. G.Grebenyuk, L. G.Gorb, et al., Teor. Éksp. Khim.,25, No. 5 581–586 (1989).

    Google Scholar 

  3. V. P. Chalyi, Metal Hydroxides (Formation Principles, Composition, Structure, and Properties) [in Russian], Naukova Dumka, Kiev (1972).

    Google Scholar 

  4. H. Saafeld and M. Wedde, Z. Kristallogr.,139, Nos. 1/2, 129–135 (1974).

    Google Scholar 

  5. M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc.,99, No. 15, 4899–4907 (1977).

    Google Scholar 

  6. A. T. Pilipenko, V. A. Zaets, V. D. Khavryuchenko, and E. R. Falendysh, Zh. Strukt. Khim.,28, No. 5, 155–156 (1987).

    Google Scholar 

  7. L. P. Davis, R. M. Guidry, J. R. Williams, et al., J. comput. Chem.,2, No. 4, 433–445 (1981).

    Google Scholar 

  8. V. A. Kireev, Methods for Practical Calculations in Thermodynamics of Chemical Reactions [in Russian], Khimiya, Moscow (1970).

    Google Scholar 

  9. R. F. Giese, Jr., Acta Crystallogr.,32, No. 6, 1719–1723.

  10. D. P. Klevtsov, O. P. Krivoruchko, V. M. Mastikhin, et al., Dokl. Akad. Nauk SSSR,295, No. 2, 381–384 (1987).

    Google Scholar 

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Authors
  1. A. G. Grebenyuk
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  2. Yu. I. Gorlov
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  3. A. A. Chiko
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Additional information

Institute of Surface Chemistry, Academy of Sciences of the Ukrainian SSR, Kiev. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No. 4, pp. 471–473, July–August, 1991. Original article submitted October 12, 1990.

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Grebenyuk, A.G., Gorlov, Y.I. & Chiko, A.A. Molecular models of aluminum hydroxide. Theor Exp Chem 27, 411–413 (1991). https://doi.org/10.1007/BF01372518

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  • DOI: https://doi.org/10.1007/BF01372518

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