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Electronic Structure with Rovibrational Calculations of the Magnesium Monohalides MgX and Their Cations MgX(+) (X = Cl, Br, and I)
[Image: see text] Alkaline-earth monohalides are popular compounds that are used in various applications. Little is known, however, in terms of electronic structure, about their cations and their low-lying electronic states. We present in this work electronic structure ab-initio calculations based o...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6933579/ https://www.ncbi.nlm.nih.gov/pubmed/31891053 http://dx.doi.org/10.1021/acsomega.9b02486 |