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Showing 1 to 1 of 1 for “"Reactividad química"”.
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Indices de reactividad y selectividad para caracterizar moléculas, clusters y reacciones químicas
… Functional Theory to the study of molecules, chemical reactions and copper clusters and to propose theoretical models of chemical reactivity from the calculation of specific portions of the potential energy surface. It is shown that principles of chemical reactivity and descriptors based on DFT …