Journal of Structural Chemistry

, Volume 47, Issue 3, pp 563–566 | Cite as

Structure of adsorption complex: Modeling and experiment

  • F. N. Dultsev


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.


selective adsorption gas sensors modeling of adsorption complex 


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Copyright information

© Springer Science+Business Media, Inc. 2006

Authors and Affiliations

  • F. N. Dultsev
    • 1
  1. 1.Institute of Semiconductor Physics, Siberian DivisionRussian Academy of SciencesNovosibirsk

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