Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point charges

Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point charges

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http://www.wikidata.org/entity/Q27144191
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesPolarized Protein-Specific Charges from Atoms-in-Molecule Electron Density PartitioningMetal-organic framework materials for light-harvesting and energy transfer.Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74.Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.Transferable Force Field for Metal-Organic Frameworks from First-Principles: BTW-FF.The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation.A hybrid zeolitic imidazolate framework membrane by mixed-linker synthesis for efficient CO2 capture.A microporous metal-organic framework containing an exceptional four-connecting 4(2)6(4) topology and a combined effect for highly selective adsorption of CO2 over N2.Recent advances in metal-organic framework-based mixed matrix membranes.Computational prediction of hetero-interpenetration in metal-organic frameworks.Comparison of gas sorption properties of neutral and anionic metal-organic frameworks prepared from the same building blocks but in different solvent systems.Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening.Computational Screening of Metal-Organic Frameworks for Membrane-Based CO/N/HO Separations: Best Materials for Flue Gas SeparationComputer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers
P2860

Finding MOFs for highly selective CO2/N2 adsorption using materials screening based on efficient assignment of atomic point charges

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http://www.wikidata.org/entity/Q27144191
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2012年論文
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2012年論文
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2012年論文
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2012年论文
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name
Finding MOFs for highly select ...... gnment of atomic point charges
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Finding MOFs for highly select ...... gnment of atomic point charges
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Finding MOFs for highly select ...... gnment of atomic point charges
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type
label
Finding MOFs for highly select ...... gnment of atomic point charges
@ast
Finding MOFs for highly select ...... gnment of atomic point charges
@en
Finding MOFs for highly select ...... gnment of atomic point charges
@nl
prefLabel
Finding MOFs for highly select ...... gnment of atomic point charges
@ast
Finding MOFs for highly select ...... gnment of atomic point charges
@en
Finding MOFs for highly select ...... gnment of atomic point charges
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921
P356
P1433
P1476
Finding MOFs for highly select ...... gnment of atomic point charges
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P921