We have chosen to present an application of the quantum chemistry for studying of sorption processes of actinide complexes in the nature. Due to the strong interdisciplinary impact of this field in numerous research areas and industrial scale branches such as, for example, environmental analytical chemistry, in particular, radiochemistry; coordination chemistry of f-elements; organometallic chemistry and catalysis; Public's security and; nuclear technologies; we hope that our contribution highlights successfully the significant prospective, which this approach provides when theoretically,...