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Revisiting the Structure of Calcined and Hydrated AlPO‐11 with DFT‐Based Molecular Dynamics Simulations
Published crystal structures of the AEL‐type aluminophosphate AlPO‐11 in its calcined form (space group [Formula: see text] ) show some peculiar features, such as unusually short Al−O and P−O bonds and near‐linear Al−O−P angles. Although experimental evidence for the presence of dynamic disorder was...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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John Wiley and Sons Inc.
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596996/ https://www.ncbi.nlm.nih.gov/pubmed/34314095 http://dx.doi.org/10.1002/cphc.202100486 |