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Cu(n) Clusters (n = 13, 43, and 55) as Possible Degradant Agents of mSF(6) Molecules (m = 1, 2): A DFT Study
[Image: see text] In order to obtain the structural and electronic properties of pristine copper clusters and Cu(13)–SF(6), Cu(43)–SF(6), Cu(55)–SF(6), Cu(13)–2SF(6), Cu(43)–2SF(6), and Cu(55)–2SF(6) systems, DFT calculations were carried out. For Cu(13)–mSF(6), its surface suffers a drastic deforma...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9521032/ https://www.ncbi.nlm.nih.gov/pubmed/36188309 http://dx.doi.org/10.1021/acsomega.2c04020 |