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Trends in the Reactivity of Molecular O-2 with Copper Clusters: Influence of Size and Shape

Fernandez, Estefania; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (American Chemical Society, 2015-08-27)

The adsorption and dissociation of molecular O-2 on copper clusters of varying size and morphology (Cur with n = 3-8, 13, and 38 atoms) has been systematically investigated using several DFT approaches. Different modes of ...

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