In silico discovery of metal-organic frameworks for precombustion CO(2) capture using a genetic algorithm

Discovery of new adsorbent materials with a high CO(2) working capacity could help reduce CO(2) emissions from newly commissioned power plants using precombustion carbon capture. High-throughput computational screening efforts can accelerate the discovery of new adsorbents but sometimes require sign...

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Veröffentlicht in:Sci Adv
Hauptverfasser: Chung, Yongchul G., Gómez-Gualdrón, Diego A., Li, Peng, Leperi, Karson T., Deria, Pravas, Zhang, Hongda, Vermeulen, Nicolaas A., Stoddart, J. Fraser, You, Fengqi, Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Association for the Advancement of Science 2016
Schlagworte:
Research Articles
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5065252/
https://ncbi.nlm.nih.gov/pubmed/27757420
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.1600909
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