Abstract
Within the discussion of the possibility to apply semiempirical methods for chemisorption calculations, nonempirical calculations of two types of adsorption complexes of H2O molecule with bridged structural fragments of aluminosilicate have been carried out.
Abstract
В плане обсуждения возможностей полуэмпирических методов при рачётах хемисорбции, проведены неэмпирические расчёты двух типов адсорбционных комплексов молекулы воды с мостиковыми структурными фрагментами алюмосиликата.
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References
H. Dunken, R. Hoffmann: Z. Phys. Chem., Neue Folge,125, 207 (1981).
V. F. Kiselev, O. V. Krylov: Adsorption Processes on the Surface of Semiconductors and Dielectrics. Nauka, Moskva 1978.
J. Sauer, K. Fiedler, W. Schrimmer, R. Zahradnik: Proc. 5th Intern. Conf. Zeolites, Naples 1980, p. 501, Heyden, London-Philadelphia-Paris 1980.
P. Hobza, J. Sauer, C. Morgeneyer, J. Hurych: J. Phys. Chem.,85, 4061 (1981).
N. D. Sokolov (Editor): The Hydrogen Bond, p. 13. Nauka, Moskva 1981.
P. Lagaly: Adv. Colloid Interface Sci.,11, 105 (1979).
N. Y. Chen: J. Phys. Chem., 80, 60 (1976).
I. N. Senchenya, I. D. Mikheikin, I. D. Zhidomirov, V. B. Kazanskii: Kinet. Katal.,23, 591 (1982).
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Zelenkovskii, V.M., Zhidomirov, G.M. & Kazanskii, V.B. Nonempirical calculations of water adsorption on bridged structural fragments of aluminosilicate. React Kinet Catal Lett 24, 15–17 (1984). https://doi.org/10.1007/BF02069594
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DOI: https://doi.org/10.1007/BF02069594