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Towards Predicting the Sequential Appearance of Zeolitic Imidazolate Frameworks Synthesized by Mechanochemistry
We use computational materials methods to study the sequential appearance of zinc-based zeolitic imidazolate frameworks (ZIFs) generated in the mechanochemical conversion process. We consider nine ZIF topologies, namely RHO, ANA, QTZ, SOD, KAT, DIA, NEB, CAG and GIS, combined with the two ligands 2-...
Autores principales: | Cherif, Mohamed, Zhang, Gaixia, Gao, Yang, Sun, Shuhui, Vidal, François |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8954221/ https://www.ncbi.nlm.nih.gov/pubmed/35335309 http://dx.doi.org/10.3390/molecules27061946 |
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