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most citedInfluence of van der Waals forces on the adsorption structure of benzene on silicon

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cond-mat.mtrl-sci2011

Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like

Andreas Møgelhøj, André Kelkkanen, K. Thor Wikfeldt +7

The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new e…