Retrofitting metal-organic frameworks

Retrofitting is recognized as a powerful tool to control the structure and the corresponding functionality in MOFs. Here, the authors develop a low-cost computational framework to guide experimentalists for retrofitting experiments in MOFs and test it on the prototypical Cu3BTC2 MOF.

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Detalles Bibliográficos
Autores principales: Christian Schneider, David Bodesheim, Julian Keupp, Rochus Schmid, Gregor Kieslich
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/318f43697cb24a4eb850fc3b01cf795b
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Descripción
Sumario:Retrofitting is recognized as a powerful tool to control the structure and the corresponding functionality in MOFs. Here, the authors develop a low-cost computational framework to guide experimentalists for retrofitting experiments in MOFs and test it on the prototypical Cu3BTC2 MOF.