Cargando…
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...
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 |
Ejemplares similares
-
Polarizable Force Fields for CO(2) and CH(4) Adsorption
in M-MOF-74
por: Becker, Tim M., et al.
Publicado: (2017) -
Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies
por: Gheorghe, Andreea, et al.
Publicado: (2021) -
Tuning the supramolecular isomerism of MOF-74 by controlling the synthesis conditions
por: Gheorghe, Andreea, et al.
Publicado: (2019) -
Parameterization to NDDO-based polarizable force field
por: Thomas, Heike, et al.
Publicado: (2014) -
RNA-protein complexes and force field polarizability
por: Baltrukevich, Hanna, et al.
Publicado: (2023)