The structural and dynamic properties of two sets of liquid state associating mixtures were investigated through molecular dynamics simulations. In one of them, the system was composed by DMSO and water in proportions that scanned all range of molar fractions of the constituents. By structural analysis was possible to identify, in all mixtures, the presence of two kinds of DMSO-water aggregates with composition 1:2 or 2:1. The proportion of molecules participating in these aggregates changed with the system composition. The interference of that last structure in the reorientational dynamics of water could be detected in calculated far infrared spectra, which suggests that this experimental technique could be efficient to detect the presence of such aggregates. In the other set of binary mixtures, the reorganization dynamics of aqueous mixtures of methanol arround diatomic solutes was studied. The reorganization of the solvation shells along the time from the instant of the solute's charge redistribution was followed by radial distribution function profiles. Different size solutes were employed to examine the charge density influence over this dynamic. xiii CURRICULUM VITAE