Matches in SemOpenAlex for { <https://semopenalex.org/work/W4240903893> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W4240903893 abstract "Metal-organic frameworks (MOFs) are highly tunable, extended-network, crystalline, nanoporous materials with applications in gas storage, separations, and sensing. We review how molecular models and simulations of gas adsorption in MOFs have informed the discovery of performant MOFs for methane, hydrogen, and oxygen storage, xenon, carbon dioxide, and chemical warfare agent capture, and xylene enrichment. Particularly, we highlight how large, open databases of MOF crystal structures, post-processed to enable molecular simulations, are a platform for computational materials discovery. We discuss how to orient research efforts to routinize the computational discovery of MOFs for adsorption-based engineering applications." @default.
- W4240903893 created "2022-05-12" @default.
- W4240903893 creator A5003778879 @default.
- W4240903893 creator A5009640996 @default.
- W4240903893 creator A5027982989 @default.
- W4240903893 creator A5030896710 @default.
- W4240903893 creator A5042133299 @default.
- W4240903893 creator A5046343559 @default.
- W4240903893 creator A5046531731 @default.
- W4240903893 creator A5051831246 @default.
- W4240903893 creator A5052054077 @default.
- W4240903893 creator A5061651859 @default.
- W4240903893 creator A5072941998 @default.
- W4240903893 creator A5085707610 @default.
- W4240903893 date "2019-07-15" @default.
- W4240903893 modified "2023-10-17" @default.
- W4240903893 title "The Role of Molecular Modeling & Simulation in the Discovery and Deployment of Metal-Organic Frameworks for Gas Storage and Separation" @default.
- W4240903893 doi "https://doi.org/10.26434/chemrxiv.7854980" @default.
- W4240903893 hasPublicationYear "2019" @default.
- W4240903893 type Work @default.
- W4240903893 citedByCount "0" @default.
- W4240903893 crossrefType "posted-content" @default.
- W4240903893 hasAuthorship W4240903893A5003778879 @default.
- W4240903893 hasAuthorship W4240903893A5009640996 @default.
- W4240903893 hasAuthorship W4240903893A5027982989 @default.
- W4240903893 hasAuthorship W4240903893A5030896710 @default.
- W4240903893 hasAuthorship W4240903893A5042133299 @default.
- W4240903893 hasAuthorship W4240903893A5046343559 @default.
- W4240903893 hasAuthorship W4240903893A5046531731 @default.
- W4240903893 hasAuthorship W4240903893A5051831246 @default.
- W4240903893 hasAuthorship W4240903893A5052054077 @default.
- W4240903893 hasAuthorship W4240903893A5061651859 @default.
- W4240903893 hasAuthorship W4240903893A5072941998 @default.
- W4240903893 hasAuthorship W4240903893A5085707610 @default.
- W4240903893 hasBestOaLocation W42409038931 @default.
- W4240903893 hasConcept C150394285 @default.
- W4240903893 hasConcept C171250308 @default.
- W4240903893 hasConcept C178790620 @default.
- W4240903893 hasConcept C179366358 @default.
- W4240903893 hasConcept C18411161 @default.
- W4240903893 hasConcept C185592680 @default.
- W4240903893 hasConcept C192562407 @default.
- W4240903893 hasConcept C41008148 @default.
- W4240903893 hasConcept C41625074 @default.
- W4240903893 hasConcept C48940184 @default.
- W4240903893 hasConcept C512968161 @default.
- W4240903893 hasConcept C516920438 @default.
- W4240903893 hasConcept C548442186 @default.
- W4240903893 hasConcept C55493867 @default.
- W4240903893 hasConcept C68044625 @default.
- W4240903893 hasConceptScore W4240903893C150394285 @default.
- W4240903893 hasConceptScore W4240903893C171250308 @default.
- W4240903893 hasConceptScore W4240903893C178790620 @default.
- W4240903893 hasConceptScore W4240903893C179366358 @default.
- W4240903893 hasConceptScore W4240903893C18411161 @default.
- W4240903893 hasConceptScore W4240903893C185592680 @default.
- W4240903893 hasConceptScore W4240903893C192562407 @default.
- W4240903893 hasConceptScore W4240903893C41008148 @default.
- W4240903893 hasConceptScore W4240903893C41625074 @default.
- W4240903893 hasConceptScore W4240903893C48940184 @default.
- W4240903893 hasConceptScore W4240903893C512968161 @default.
- W4240903893 hasConceptScore W4240903893C516920438 @default.
- W4240903893 hasConceptScore W4240903893C548442186 @default.
- W4240903893 hasConceptScore W4240903893C55493867 @default.
- W4240903893 hasConceptScore W4240903893C68044625 @default.
- W4240903893 hasLocation W42409038931 @default.
- W4240903893 hasOpenAccess W4240903893 @default.
- W4240903893 hasPrimaryLocation W42409038931 @default.
- W4240903893 hasRelatedWork W10866120 @default.
- W4240903893 hasRelatedWork W11944304 @default.
- W4240903893 hasRelatedWork W1668252 @default.
- W4240903893 hasRelatedWork W2213019 @default.
- W4240903893 hasRelatedWork W5233897 @default.
- W4240903893 hasRelatedWork W5625201 @default.
- W4240903893 hasRelatedWork W6576594 @default.
- W4240903893 hasRelatedWork W6722053 @default.
- W4240903893 hasRelatedWork W8298962 @default.
- W4240903893 hasRelatedWork W9759707 @default.
- W4240903893 isParatext "false" @default.
- W4240903893 isRetracted "false" @default.
- W4240903893 workType "article" @default.