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A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides
In the search for common bonding patterns in pure and mixed clusters of beryllium and magnesium derivatives, the most stable dimers and trimers involving BeX(2) and MgX(2) (X = H, F, Cl) have been studied in the gas phase using B3LYP and M06-2X DFT methods and the G4 ab initio composite procedure. T...
Autores principales: | Mó, Otilia, Montero-Campillo, M. Merced, Yáñez, Manuel, Alkorta, Ibon, Elguero, José |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673300/ https://www.ncbi.nlm.nih.gov/pubmed/38005228 http://dx.doi.org/10.3390/molecules28227507 |
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