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Justin Malave, Alexander Ahrens, Daniel Pitagora
Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
Published on : Apr 08, 2020
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
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on : Apr 12, 2019