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Toward Accurate Adsorption Energetics on Clay Surfaces

[Image: see text] Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard co...

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Detalhes bibliográficos
Publicado no:J Phys Chem C Nanomater Interfaces
Main Authors: Zen, Andrea, Roch, Loïc M., Cox, Stephen J., Hu, Xiao Liang, Sorella, Sandro, Alfè, Dario, Michaelides, Angelos
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2016
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5126707/
https://ncbi.nlm.nih.gov/pubmed/27917256
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.6b09559
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