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Polarizable Force Field for CO(2) in M-MOF-74 Derived from Quantum Mechanics

[Image: see text] On the short term, carbon capture is a viable solution to reduce human-induced CO(2) emissions, which requires an energy efficient separation of CO(2). Metal–organic frameworks (MOFs) may offer opportunities for carbon capture and other industrially relevant separations. Especially...

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Bibliografische gegevens
Gepubliceerd in:J Phys Chem C Nanomater Interfaces
Hoofdauteurs: Becker, Tim M., Lin, Li-Chiang, Dubbeldam, David, Vlugt, Thijs J. H.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2018
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6369669/
https://ncbi.nlm.nih.gov/pubmed/30774742
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.8b08639
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