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Materials design by evolutionary optimization of functional groups in metal-organic frameworks

A genetic algorithm that efficiently optimizes a desired physical or functional property in metal-organic frameworks (MOFs) by evolving the functional groups within the pores has been developed. The approach has been used to optimize the CO(2) uptake capacity of 141 experimentally characterized MOFs...

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Detalles Bibliográficos
Autores principales:	Collins, Sean P., Daff, Thomas D., Piotrkowski, Sarah S., Woo, Tom K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Association for the Advancement of Science 2016
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5262444/ https://www.ncbi.nlm.nih.gov/pubmed/28138523 http://dx.doi.org/10.1126/sciadv.1600954

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