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Showing 1 to 1 of 1 for “"Reacciones químicas"”.
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Indices de reactividad y selectividad para caracterizar moléculas, clusters y reacciones químicas
Potential energy surface is a key concept in the application of electronic structure methods to the study of molecular structure, properties and reactivities, however its determination imply a high computational cost. The aim of this work is to apply the concepts and principles based upon Density …