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Implicit Solvation Methods for Catalysis at Electrified Interfaces

[Image: see text] Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite solutes, implicit solvation techniques are...

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Detalles Bibliográficos
Autores principales:	Ringe, Stefan, Hörmann, Nicolas G., Oberhofer, Harald, Reuter, Karsten
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9227731/ https://www.ncbi.nlm.nih.gov/pubmed/34928131 http://dx.doi.org/10.1021/acs.chemrev.1c00675

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