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Estudio de las propiedades electrónicas y magnéticas de metaloporfirinas

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In this final degree project different properties of metalloporpyhrins, of iron, copper and nickel, are studied, by means of ab initio calculations. These simulations are carried out with the Vienna Ab Initio Simulation Package (VASP) software, which lays its foundations on the Density Functional Theory (DFT). The aim of these calculations is to obtain
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