In silico screening of metal-organic frameworks in separation applications.
about
Diffusion in porous crystalline materials.Zeolitic imidazolate frameworks: next-generation materials for energy-efficient gas separations.Exploiting Large-Pore Metal-Organic Frameworks for Separations through Entropic Molecular Mechanisms.Commensurate-incommensurate adsorption and diffusion in ordered crystalline microporous materials.Screening metal-organic frameworks for separation of pentane isomers.Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.Microwave-assisted synthesis of HKUST-1 and functionalized HKUST-1-@H3PW12O40: selective adsorption of heavy metal ions in water analyzed with synchrotron radiation.Porous Organic Polymers for Post-Combustion Carbon Capture.Simulated evolution of fluorophores for light emitting diodes.Predicting Product Distribution of Propene Dimerization in Nanoporous Materials.Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials.Ab initio carbon capture in open-site metal-organic frameworks.Computational generation of user-desired multivariate metal-organic framework structures.Separation of hexane isomers in a metal-organic framework with triangular channels.Tracing the origins of transient overshoots for binary mixture diffusion in microporous crystalline materials.Separating mixtures by exploiting molecular packing effects in microporous materials.High-Throughput Computational Screening of the Metal Organic Framework Database for CH4/H2 Separations.Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts.Sizable dynamics in small pores: CO2 location and motion in the α-Mg formate metal-organic framework.Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas.Multi-Component Uptake of Dye Molecules by Films of Nanoporous Metal-Organic Frameworks.Communication: A method to compute the transport coefficient of pure fluids diffusing through planar interfaces from equilibrium molecular dynamics simulations.A microporous MOF with a polar pore surface exhibiting excellent selective adsorption of CO2 from CO2-N2 and CO2-CH4 gas mixtures with high CO2 loading.Superbasicity of silylene derivatives achieved via non-covalent intramolecular cation···π interactions and exploited as molecular containers for CO2.Tuning the target composition of amine-grafted CPO-27-Mg for capture of CO2 under post-combustion and air filtering conditions: a combined experimental and computational study.A new tetrazolate zeolite-like framework for highly selective CO2/CH4 and CO2/N2 separation.Entropic separations of mixtures of aromatics by selective face-to-face molecular stacking in one-dimensional channels of metal-organic frameworks and zeolites.Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening.Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations† †Electronic supplementary information (ESI) available: Supporting data associated with this article can be found in the online version:Computational Screening of Metal-Organic Frameworks for Membrane-Based CO/N/HO Separations: Best Materials for Flue Gas SeparationMaterials challenges for the development of solid sorbents for post-combustion carbon capturePorous aromatic frameworks: Synthesis, structure and functionsLarge scale computational screening and experimental discovery of novel materials for high temperature CO2 captureA versatile synthesis of metal–organic framework-derived porous carbons for CO2 capture and gas separationA microporous metal–organic framework assembled from an aromatic tetracarboxylate for H2 purificationA Microporous Metal-Organic Framework for Highly Selective Separation of Acetylene, Ethylene, and Ethane from Methane at Room TemperatureA microporous lanthanide-tricarboxylate framework with the potential for purification of natural gasA robust doubly interpenetrated metal–organic framework constructed from a novel aromatic tricarboxylate for highly selective separation of small hydrocarbonsComputer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane IsomersMicroporous metal–organic frameworks for storage and separation of small hydrocarbons
P2860
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P2860
In silico screening of metal-organic frameworks in separation applications.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
In silico screening of metal-organic frameworks in separation applications.
@en
In silico screening of metal-organic frameworks in separation applications.
@nl
type
label
In silico screening of metal-organic frameworks in separation applications.
@en
In silico screening of metal-organic frameworks in separation applications.
@nl
prefLabel
In silico screening of metal-organic frameworks in separation applications.
@en
In silico screening of metal-organic frameworks in separation applications.
@nl
P2860
P356
P1476
In silico screening of metal-organic frameworks in separation applications.
@en
P2093
Jasper M van Baten
P2860
P304
10593-10616
P356
10.1039/C1CP20282K
P407
P577
2011-05-03T00:00:00Z