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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...

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Detalles Bibliográficos
Autores principales: Li, Aurelia, Bueno-Perez, Rocio, Fairen-Jimenez, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
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