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Grand canonical simulations of electrochemical interfaces in implicit solvation models
Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date:
August 31, 2018
Creator:
Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
System:
The UNT Digital Library