06-04U

Using quantum-chemical calculations (method ab-initio) the process of adsorption of UO$_{2}^{2 + }$, Cs$^{ + }$, Sr$^{2 + }$ on ferrocyanides was investigated. The structure of the complex (Fe(CN)$_6$)$^{4-}$ and its changes at the adsorption of radionuclides was investigated. The detail information about charge and distance distribution between atoms of adsorbate and sorbent was obtained. The influence of the presence of the hydration shell on the process of adsorption was analysed.