The Laboratory of Structure and Dynamics of Molecules group (LSDM) is working at the department of chemistry of the university of napoli 'Federico II' and is led by Prof. Vincenzo Barone. The main research of the group lies in the fields of theoretical and computational chemistry of large and complex chemical systems of industrial and biological importance. We are currently involved in both the development and application of state-of-the-art quantum chemical techniques to study the reactivity and dynamics of biological and catalytic systems, surface chemistry and material properties.