Ab initio carbon capture in open-site metal-organic frameworks.
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Direct synthesis of formic acid from carbon dioxide by hydrogenation in acidic mediaAccurate van der Waals force field for gas adsorption in porous materials.Electronic structure modulation of metal-organic frameworks for hybrid devices.Metal-organic frameworks for upgrading biogas via CO2 adsorption to biogas green energy.Chemical principles underpinning the performance of the metal-organic framework HKUST-1.Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture.Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture.Exceptional CO2 working capacity in a heterodiamine-grafted metal-organic framework.Computational prediction of high methane storage capacity in V-MOF-74.Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic FrameworksMetal organic frameworks mimicking natural enzymes: a structural and functional analogy.Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74.Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method.Giant Hysteretic Sorption of CO2 : In Situ Crystallographic Visualization of Guest Binding within a Breathing Framework at 298 K.Selective gas capture via kinetic trapping.A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification.A water stable metal-organic framework with optimal features for CO2 capture.The effect of SO2 on CO2 capture in zeolitic imidazolate frameworks.Understanding CO2 dynamics in metal-organic frameworks with open metal sites.Spiers Memorial Lecture:. Progress and prospects of reticular chemistry.The effects of framework dynamics on the behavior of water adsorbed in the [Zn(l-L)(Cl)] and Co-MOF-74 metal-organic frameworks.Redox chemistry and metal-insulator transitions intertwined in a nano-porous material.Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory.On the Structure-Property Relationships of Cation-Exchanged ZK-5 Zeolites for CO2 Adsorption.Effects of Force Field Selection on the Computational Ranking of MOFs for CO2 Separations.Layered Graphene-Hexagonal BN Nanocomposites: Experimentally Feasible Approach to Charge-Induced Switchable CO2 Capture."Click"-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.Photo-responsive MOFs: light-induced switching of porous single crystals containing a photochromic diarylethene.Reversible single-crystal-to-single-crystal transformation from a mononuclear complex to a fourfold interpenetrated MOF with selective adsorption of CO2.Enhancement of adsorption selectivity for MOFs under mild activation and regeneration conditions.Thermodynamic screening of metal-substituted MOFs for carbon capture.Genetic engineering of inorganic functional modular materials.On flexible force fields for metal-organic frameworks: Recent developments and future prospectsUnveiling the mechanism of selective gate-driven diffusion of CO2 over N2 in MFU-4 metal–organic frameworkVisualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networksA combined experimental and quantum chemical study of CO2 adsorption in the metal–organic framework CPO-27 with different metalsWater adsorption in metal-organic frameworks with open-metal sitesComputational screening of porous metal-organic frameworks and zeolites for the removal of SO2and NOxfrom flue gases
P2860
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P2860
Ab initio carbon capture in open-site metal-organic frameworks.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Ab initio carbon capture in open-site metal-organic frameworks.
@en
Ab initio carbon capture in open-site metal-organic frameworks.
@nl
type
label
Ab initio carbon capture in open-site metal-organic frameworks.
@en
Ab initio carbon capture in open-site metal-organic frameworks.
@nl
altLabel
Ab initio carbon capture in open-site metal–organic frameworks
@en
prefLabel
Ab initio carbon capture in open-site metal-organic frameworks.
@en
Ab initio carbon capture in open-site metal-organic frameworks.
@nl
P2093
P2860
P50
P356
P1433
P1476
Ab initio carbon capture in open-site metal-organic frameworks.
@en
P2093
Joseph A Swisher
Roberta Poloni
Sergey N Maximoff
P2860
P2888
P304
P356
10.1038/NCHEM.1432
P577
2012-08-19T00:00:00Z