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Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment
[Image: see text] Zinc oxide nanostructures are used in an ever increasing line of applications in technology and biomedical fields. This requires a detailed understanding of the phenomena that occur at the surface particularly in aqueous environments and in contact with biomolecules. In this work,...
Autores principales: | Saeedimasine, Marzieh, Grote, Fredrik, Lyubartsev, Alexander P. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10316393/ https://www.ncbi.nlm.nih.gov/pubmed/37314246 http://dx.doi.org/10.1021/acs.jpca.3c00424 |
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