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Alec Wills, Marivi Fernández-Serra
Sebastian Dick, Marivi Fernandez-Serra

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on : Apr 12, 2019

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
Published on : Apr 08, 2020