The research in our group focuses on the calculation of molecular and material properties in relation to their structure. Different subjects related to properties and structure of molecules will be discussed: the prediction of dielectric constants, magnetic response theory, and bonding in small molecules. It has been argued that the efficiency of organic photovoltaic devices can be improved by using materials with a high dielectric constant, as the exciton binding energy is reduced. We have developed a protocol using quantum chemical calculations and polarizable force field molecular
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