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Information × Registration Number 0207U005588, 0104U008821 , R & D reports Title Theoretical studies of "small" molecules with nanomaterials for their future application in hetero-catalytic processes, nanocontainers and as selective sorbents popup.stage_title Head Stryzhak Petro Evgenovich, Registration Date 15-05-2007 Organization L.V.Pisarzhevsky Institute of Physical Chemistry of the National Academy of Sciences of Ukraine popup.description2 Based on theoretical study small molecules with nanomaterials it was shown that there is dependence between nanosize of catalysts and parameters of catalytic process. This dependence gives a possibility to optimize parameters of catalytic process. It was found energy of activation of adsorption of CO molecule on supported isolated Pt is 0.0251 a.u. DFT study of interaction between Pt-nanoclusters and the CO molecule was shown that increasing of number of Pt atoms in clusters sharp decreases binding energy in PtnCO compounds. Practical recommendations for using theoretical studies interaction small molecules with nanomaterials in heterogeneous catalytical processes were offered Product Description popup.authors popup.nrat_date 2020-04-02 Close