Nuclear quantum effects in fullerene–fullerene aggregation in water
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DOI: 10.3389/fchem.2022.1072665
Abstract: We studied the effects of the quantum delocalization in space of the hydrogen atoms of water in the aggregation process of two fullerene molecules. We considered a case using a purely repulsive water–fullerene interaction, as… read more here.
Keywords: aggregation; water; effects fullerene; nuclear quantum ... See more keywords