Modeling of catalytic processes promoted by transition metal and rare earth complexes in homogeneous or heterogeneous phase

Line of research
The research activity is intended to give theoretical support to the experimental results of catalytic processes in collaboration with prof. Tobin Marks, (Northwestern University, IL, USA. In particular, my contribution within the collaboration is aimed at explaining the kinetic and thermodynamic data deriving from the experimental activities through the formulation of a reaction mechanism and of the relative energy profile, expressing all the factors that determine the catalytic behavior at the atomic/molecular. Modeling is based on quantum mechanical methodologies (DFT)

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