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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...
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| Опубликовано в: : | J Chem Theory Comput |
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| Главные авторы: | , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American
Chemical Society
2020
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7735700/ https://ncbi.nlm.nih.gov/pubmed/32880452 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00483 |
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