Accelerating applications of metal-organic frameworks for gas adsorption and separation by computational screening of materials

The selection of metal-organic frameworks (MOFs) for gas adsorption and separation has become a significant challenge over the past decade because of the large number of new structures reported every year. We applied a multiscale computational approach to screen existing MOFs for CO(2)/N(2) separati...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 28(2012), 40 vom: 09. Okt., Seite 14114-28
1. Verfasser: Watanabe, Taku (VerfasserIn)
Weitere Verfasser: Sholl, David S
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2012
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article