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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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Detalles Bibliográficos
Autores principales: Becker, Tim M., Lin, Li-Chiang, Dubbeldam, David, Vlugt, Thijs J. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6369669/
https://www.ncbi.nlm.nih.gov/pubmed/30774742
http://dx.doi.org/10.1021/acs.jpcc.8b08639