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In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis
In this work we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad se...
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| Publicado no: | Chem Sci |
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| Main Authors: | , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6024208/ https://ncbi.nlm.nih.gov/pubmed/30034767 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc01477a |
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