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Effects of Force Field Selection on the Computational Ranking of MOFs for CO(2) Separations
[Image: see text] Metal–organic frameworks (MOFs) have been considered as highly promising materials for adsorption-based CO(2) separations. The number of synthesized MOFs has been increasing very rapidly. High-throughput molecular simulations are very useful to screen large numbers of MOFs in order...
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| Gepubliceerd in: | Ind Eng Chem Res |
|---|---|
| Hoofdauteurs: | , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
American Chemical
Society
2018
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| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5828708/ https://ncbi.nlm.nih.gov/pubmed/29503503 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.iecr.7b04792 |
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