Regioselectividad en fullerenos, una visión computacional

Fullerenes are wonderful molecules that exhibit a wealth of interesting properties, which promises a major role for this family in the future in the (bio)medicine and nanotechnology fields. However, there are still many unknowns such as for instance the reactivity of these molecules and how this is affected by metals. These aspects are difficult to apprehend by experiments alone, for which reason there is a widespread interest in the description and simulation of them by theoretical chemistry. Here we briefly describe our results from the past five years and their future impact ​
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