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Theoretical Insights into the Geometrical Evolution, Photoelectron Spectra, and Vibrational Properties of YGe(n)(–) (n = 6–20) Anions: From Y-Linked to Y-Encapsulated Structures
[Image: see text] The structural evolution behavior of germanium anionic clusters doped with the rare-earth metal yttrium, YGe(n)(–) (n = 6–20), has been investigated using a mPW2PLYP density functional scheme and an ABCluster structure searching technique. The results reveal that with increasing cl...
| 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/PMC9583326/ https://www.ncbi.nlm.nih.gov/pubmed/36278055 http://dx.doi.org/10.1021/acsomega.2c03983 |