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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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| Publicado no: | Sci Adv |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Association for the Advancement of Science
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5262444/ https://ncbi.nlm.nih.gov/pubmed/28138523 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.1600954 |
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