Аннотация:Research of adsorption and activation of hydrocarbons of a various structure is carried out the given work (CnH2n-2, CnH2n, CnH2n+2, PhC2H, PhC2H3, PhC2H5, (n=2,6)) on gold cluster, studying of sites nature and influence a structure and a charging of clusters on it adsorbtional ability. The work purpose was quantum-chemical simulation of hydrocarbons adsorption on gold clusters with different structures and charge. Flat and volume Au10 and Au10+ clusters have been considered as models of particles. The established laws of influence of structure of hydrocarbon on properties are compared with results chromatographic researches of composite Au (0.7 %)/Al2O3.