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Electronic and Optical Properties of Small Metal Fluoride Clusters
[Image: see text] We report a systematic investigation on the electronic and optical properties of the smallest stable clusters of alkaline-earth metal fluorides, namely, MgF(2), CaF(2), SrF(2), and BaF(2). For these clusters, we perform density functional theory (DFT) and time-dependent DFT (TDDFT)...
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| Publicat a: | ACS Omega |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2020
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| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7288709/ https://ncbi.nlm.nih.gov/pubmed/32548513 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c01317 |
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