most citedA QM/MM approach for the study of monolayer-protected gold clusters

14 citations · 14 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2012★ 14 cited

A QM/MM approach for the study of monolayer-protected gold clusters

Sandipan Banerjee, John A. Montgomery, José A. Gascón

We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold cluste…