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Density Functional Theory Studies of the Electronic Structure and Muon Hyperfine Interaction in [Au(25)(SR)(18)](0) and [Au(25)(SeR)(18)](0) Nanoclusters
[Image: see text] Density functional theory computational investigation was performed to study the electronic structures, muon sites, and the associated hyperfine interactions in [Au(25)(SR)(18)](0) and [Au(25)(SeR)(18)](0) where R is phenylethane. The calculated electronic structures show inhomogen...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7774246/ https://www.ncbi.nlm.nih.gov/pubmed/33403287 http://dx.doi.org/10.1021/acsomega.0c04937 |