Abstract
The structures of adsorption complexes formed by SO2 adsorption on organic layers with various functional groups were calculated using semiempirical methods. A compound possessing high selectivity with respect to SO2 was chosen on the basis of calculations. The calculated data were confirmed experimentally.
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Original Russian Text Copyright © 2006 by F. N. Dultsev
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Translated from Zhurnal Strukturnoi Khimii, Vol. 47, No. 3, pp. 575–577, May–June, 2006.
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Dultsev, F.N. Structure of adsorption complex: Modeling and experiment. J Struct Chem 47, 563–566 (2006). https://doi.org/10.1007/s10947-006-0337-1
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DOI: https://doi.org/10.1007/s10947-006-0337-1