Cargando…
Dopamine-Decorated TiO(2) Nanoparticles in Water: A QM/MM vs an MM Description
[Image: see text] Nanoparticle functionalization is a modern strategy in nanotechnology to build up devices for several applications. Modeling fully decorated metal oxide nanoparticles of realistic size (few nanometers) in an aqueous environment is a challenging task. In this work, we present a case...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7735700/ https://www.ncbi.nlm.nih.gov/pubmed/32880452 http://dx.doi.org/10.1021/acs.jctc.0c00483 |