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Ranking the synthesizability of hypothetical zeolites with the sorting hat

Zeolites are nanoporous alumino-silicate frameworks widely used as catalysts and adsorbents. Even though millions of siliceous networks can be generated by computer-aided searches, no new hypothetical framework has yet been synthesized. The needle-in-a-haystack problem of finding promising candidate...

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Detalles Bibliográficos
Autores principales: Helfrecht, Benjamin A., Pireddu, Giovanni, Semino, Rocio, Auerbach, Scott M., Ceriotti, Michele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9721151/
https://www.ncbi.nlm.nih.gov/pubmed/36561986
http://dx.doi.org/10.1039/d2dd00056c