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Identifying porous cage subsets in the Cambridge Structural Database using topological data analysis
As rationally designable materials, the variety and number of synthesised metal–organic cages (MOCs) and organic cages (OCs) are expected to grow in the Cambridge Structural Database (CSD). In this regard, two of the most important questions are, which structures are already present in the CSD and h...
Autores principales: | Li, Aurelia, Bueno-Perez, Rocio, Fairen-Jimenez, David |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9682994/ https://www.ncbi.nlm.nih.gov/pubmed/36507160 http://dx.doi.org/10.1039/d2sc03171j |
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