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To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule
Loewenstein's rule, which states that Al−O−Al motifs are energetically unstable, is fundamental to the understanding and design of zeolites. Here, using a combination of electronic structure calculations and lattice models, we show under which circumstances this rule becomes invalid and how it...
Autores principales: | Fant, Magnus, Ångqvist, Mattias, Hellman, Anders, Erhart, Paul |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7986852/ https://www.ncbi.nlm.nih.gov/pubmed/33315307 http://dx.doi.org/10.1002/anie.202013256 |
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