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Computational Modeling of Gold Nanoparticle Interacting with Molecules of Pharmaceutical Interest in Water
We derived a theory of biomolecule binding to the surface of Au(n) clusters and of the Au plane based on the hard soft acid base (HSAB) principle and the free electron metallic surface model. With the use of quantum mechanical calculations, the chemical potential (μ) and the chemical hardness (η) of...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10609557/ https://www.ncbi.nlm.nih.gov/pubmed/37894646 http://dx.doi.org/10.3390/molecules28207167 |