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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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Detalhes bibliográficos
Publicado no:Langmuir
Main Authors: Galicia-Andrés, Edgar, Petrov, Drazen, Gerzabek, Martin H., Oostenbrink, Chris, Tunega, Daniel
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
Assuntos:
Acesso em linha: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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