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Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides
[Image: see text] The structure, stability, and bonding characteristics of dimers and trimers involving BX(3) and AlX(3) (X = H, F, Cl) in the gas phase, many of them explored for the first time, were investigated using different DFT (B3LYP, B3LYP/D3BJ, and M06-2X) and ab initio (MP2 and G4) methods...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10364081/ https://www.ncbi.nlm.nih.gov/pubmed/37418427 http://dx.doi.org/10.1021/acs.jpca.3c02747 |