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Polarization effects in simulations of kaolinite-water interfaces

Computational models of clay minerals and their interactions with the surrounding medium are highly valuable to study adsorption processes at an atomistic resolution, which may be relevant in different areas such as chromatography, environmental chemistry, etc. In this work, we analyzed the effect o...

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Publicat a:Langmuir
Autors principals: Galicia-Andrés, Edgar, Petrov, Drazen, Gerzabek, Martin H., Oostenbrink, Chris, Tunega, Daniel
Format: Artigo
Idioma:Inglês
Publicat: 2019
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7610636/
https://ncbi.nlm.nih.gov/pubmed/31663747
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.langmuir.9b02945
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