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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,...

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Detalles Bibliográficos
Autores principales: Saeedimasine, Marzieh, Grote, Fredrik, Lyubartsev, Alexander P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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