Computational modelling of nanoparticle catalysis.
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DOI: 10.1039/d4nr04364b
Abstract: In recent years, computational methods have complemented a range of experimental techniques to enrich our understanding of chemical systems. This is particularly true in catalysis, as it is possible to gain atomic level insight into… read more here.
Keywords: computational methods; active sites; modelling nanoparticle; catalysis ... See more keywords