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Diffusion in Nanoporous Materials
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An Explanation for the Very Large Breathing Effect of a Metal–Organic Framework during CO2 Adsorption
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Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials
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Observation of Ion Electrosorption in Metal–Organic Framework Micropores with In Operando Small‐Angle Neutron Scattering
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April 2020 |
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NMR Studies on the Diffusion of Hydrocarbons on the Metal-Organic Framework Material MOF-5
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The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa
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Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr)
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Transport into Metal-Organic Frameworks from Solution Is Not Purely Diffusive
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Simple and Compelling Biomimetic Metal-Organic Framework Catalyst for the Degradation of Nerve Agent Simulants
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Defect-Engineered Metal-Organic Frameworks
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June 2015 |
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Mapping-Out Catalytic Processes in a Metal-Organic Framework with Single-Crystal X-ray Crystallography
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Electrochemical, Pulsed-Field-Gradient Spin-Echo NMR Spectroscopic, and ESR Spectroscopic Study of the Diffusivity of Molecular Probes inside Gel-Type Cross-Linked Polymers
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Probing the Dynamics of CO2 and CH4 within the Porous Zirconium Terephthalate UiO-66(Zr): A Synergic Combination of Neutron Scattering Measurements and Molecular Simulations
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A Roadmap to Implementing Metal-Organic Frameworks in Electronic Devices: Challenges and Critical Directions
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Assessing Guest-Molecule Diffusion in Heterogeneous Powder Samples of Metal-Organic Frameworks through Pulsed-Field-Gradient (PFG) NMR Spectroscopy
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In Operando Analysis of Diffusion in Porous Metal‐Organic Framework Catalysts
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Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH 4 and CO 2 in ZIF-8
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Precise Control of Molecular Self‐Diffusion in Isoreticular and Multivariate Metal‐Organic Frameworks
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Electrocatalytic Metal-Organic Frameworks for Energy Applications
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Recent advancements in MOF‐ based catalysts for applications in electrochemical and photoelectrochemical water splitting: A review
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Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks
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A model for the propagation of a redox reaction through microcrystals
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Adsorption celebrates 25 years
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Potentials and challenges of high-field PFG NMR diffusion studies with sorbates in nanoporous media
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Kinetics of liquid phase batch adsorption experiments
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Diffusion coefficients in nanoporous solids derived from membrane permeation measurements
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A review of common practices in gravimetric and volumetric adsorption kinetic experiments
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Pulsed field gradient NMR diffusion measurement in nanoporous materials
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Single-molecule observation of diffusion and catalysis in nanoporous solids
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NMR imaging and diffusion
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Identification of mass transfer resistances in microporous materials using frequency response methods
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Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids
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Analysis of electrocatalytic metal-organic frameworks
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Diffusion of methane and other alkanes in metal-organic frameworks for natural gas storage
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Increased volumetric hydrogen uptake of MOF-5 by powder densification
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Hydrogen permeation and diffusion in densified MOF-5 pellets
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Self-diffusion of electrolyte species in model battery electrodes using Magic Angle Spinning and Pulsed Field Gradient Nuclear Magnetic Resonance
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Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites
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PFG NMR diffusion measurements of CH4 and CO2 through large ZSM-58-crystals
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13C NMR study of diffusion anisotropy of carbon dioxide adsorbed in nanoporous DMOF-1
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Characteristic features of molecular transport in MOF ZIF-8 as revealed by IR microimaging
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The predictive power of classical transition state theory revealed in diffusion studies with MOF ZIF-8
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Evolution of acid and basic sites in UiO-66 and UiO-66-NH2 metal-organic frameworks: FTIR study by probe molecules
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Design of Hierarchical Architectures in Metal–Oganic Frameworks for Catalysis and Adsorption
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Small Molecules, Big Effects: Tuning Adsorption and Catalytic Properties of Metal–Organic Frameworks
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Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation
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Gate-Opening Mechanism of Hydrophilic–Hydrophobic Metal–Organic Frameworks: Molecular Simulations and Quasi-Equilibrated Desorption
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Power of Infrared and Raman Spectroscopies to Characterize Metal-Organic Frameworks and Investigate Their Interaction with Guest Molecules
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Metal–Organic Frameworks in Heterogeneous Catalysis: Recent Progress, New Trends, and Future Perspectives
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Electrically Conductive Metal–Organic Frameworks
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Kinetics of Water Adsorption in UiO-66 MOF
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Tailoring the Pore Size and Functionality of UiO-Type Metal–Organic Frameworks for Optimal Nerve Agent Destruction
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Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019
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Fast and Accurate Machine Learning Strategy for Calculating Partial Atomic Charges in Metal–Organic Frameworks
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Extension of the Universal Force Field for Metal–Organic Frameworks
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Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field
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Anisotropic Ion Diffusion and Electrochemically Driven Transport in Nanostructured Block Copolymer Electrolytes
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Message Passing Neural Networks for Partial Charge Assignment to Metal–Organic Frameworks
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Modeling of Diffusion of Acetone in UiO-66
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Gold Stability and Diffusion in the Au/TS-1 Catalyst
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Diffusion of CH 4 in ZIF-8 Studied by Quasi-Elastic Neutron Scattering
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Adsorption and Diffusion Phenomena in Crystal Size Engineered ZIF-8 MOF
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Influence of Pore Dimension on the Host–Guest Interaction in Metal–Organic Frameworks
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Uncovering the Rotation and Translational Mobility of Benzene Confined in UiO-66 (Zr) Metal–Organic Framework by the 2 H NMR–QENS Experimental Toolbox
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Alkane–OH Hydrogen Bond Formation and Diffusion Energetics of n -Butane within UiO-66
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Solid-state NMR Studies of Host–Guest Interaction between UiO-67 and Light Alkane at Room Temperature
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Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations
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Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal–Organic Framework Zn 2 (dobpdc)
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Characterization of Undercoordinated Zr Defect Sites in UiO-66 with Vibrational Spectroscopy of Adsorbed CO
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Benzene, Toluene, and Xylene Transport through UiO-66: Diffusion Rates, Energetics, and the Role of Hydrogen Bonding
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June 2018 |
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Computational Screening of Metal–Organic Frameworks for Membrane-Based CO 2 /N 2 /H 2 O Separations: Best Materials for Flue Gas Separation
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March 2018 |
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Diffusion of Water and Carbon Dioxide and Mixtures Thereof in Mg-MOF-74
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Molecular-Level Insight into CO 2 Adsorption on the Zirconium-Based Metal–Organic Framework, UiO-66: A Combined Spectroscopic and Computational Approach
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Design, Synthesis, and Characterization of Metal–Organic Frameworks for Enhanced Sorption of Chemical Warfare Agent Simulants
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Molecular Diffusion in a Flexible Mesoporous Metal–Organic Framework over the Course of Structural Contraction
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Modeling Gas Flow Dynamics in Metal–Organic Frameworks
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Assessing the Impact of Point Defects on Molecular Diffusion in ZIF-8 Using Molecular Simulations
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Determining Diffusion Coefficients of Chemical Warfare Agents in Metal–Organic Frameworks
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Design Rules for Efficient Charge Transfer in Metal–Organic Framework Films: The Pore Size Effect
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Investigating the Process and Mechanism of Molecular Transport within a Representative Solvent-Filled Metal–Organic Framework
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Heterogeneous Diffusion of Alkanes in the Hierarchical Metal–Organic Framework NU-1000
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High-Throughput Screening of Metal–Organic Frameworks for CO 2 Capture in the Presence of Water
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Effect of Molecular Weight and Salt Concentration on Ion Transport and the Transference Number in Polymer Electrolytes
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Precise Measurement and Controlled Tuning of Effective Window Sizes in ZIF-8 Framework for Efficient Separation of Xylenes
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Chiral Macroporous MOF Surfaces for Electroassisted Enantioselective Adsorption and Separation
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July 2020 |
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Topology-Dependent Alkane Diffusion in Zirconium Metal–Organic Frameworks
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Adsorption and Diffusion of Benzene in Mg-MOF-74 with Open Metal Sites
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Effects of Intrinsic Flexibility on Adsorption Properties of Metal–Organic Frameworks at Dilute and Nondilute Loadings
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H 5 PV 2 Mo 10 O 40 Polyoxometalate Encapsulated in NU-1000 Metal–Organic Framework for Aerobic Oxidation of a Mustard Gas Simulant
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Microenvironment of MOF Channel Coordination with Pt NPs for Selective Hydrogenation of Unsaturated Aldehydes
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Hollow Mesoporous Metal–Organic Frameworks with Enhanced Diffusion for Highly Efficient Catalysis
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Metal–Organic Frameworks as a Good Platform for the Fabrication of Single-Atom Catalysts
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Opportunities in Catalysis over Metal-Zeotypes Enabled by Descriptions of Active Centers Beyond Their Binding Site
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Design Strategies for Enhanced Conductivity in Metal–Organic Frameworks
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A Review on Recent Advances for Electrochemical Reduction of Carbon Dioxide to Methanol Using Metal–Organic Framework (MOF) and Non-MOF Catalysts: Challenges and Future Prospects
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Structure and Dynamics of the Functionalized MOF Type UiO-66(Zr): NMR and Dielectric Relaxation Spectroscopies Coupled with DFT Calculations
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Metal–Organic Frameworks for Separations
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Metal Organic Framework Catalysis: Quo vadis ?
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Pt Nanoclusters Confined within Metal–Organic Framework Cavities for Chemoselective Cinnamaldehyde Hydrogenation
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Missing Linker Defects in a Homochiral Metal–Organic Framework: Tuning the Chiral Separation Capacity
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Independent Quantification of Electron and Ion Diffusion in Metallocene-Doped Metal–Organic Frameworks Thin Films
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Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography
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Anisotropic Redox Conductivity within a Metal–Organic Framework Material
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Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations
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Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH 4 /H 2 and CO 2 /CH 4 Mixtures in ZIFs
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Origin of Enantioselectivity in a Chiral Metal–Organic Framework: A Molecular Simulation Study
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Crystal-Size-Dependent Structural Transitions in Nanoporous Crystals: Adsorption-Induced Transitions in ZIF-8
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Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools
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Charge Equilibration Based on Atomic Ionization in Metal–Organic Frameworks
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Fast and Accurate Electrostatics in Metal Organic Frameworks with a Robust Charge Equilibration Parameterization for High-Throughput Virtual Screening of Gas Adsorption
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CO 2 /H 2 O Adsorption Equilibrium and Rates on Metal−Organic Frameworks: HKUST-1 and Ni/DOBDC
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Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials
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Study of Gas Flow Characteristics in Tight Porous Media with a Microscale Lattice Boltzmann Model
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MOF-based electronic and opto-electronic devices
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A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory
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Observation of single-file diffusion in a MOF
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Nanoparticle/MOF composites: preparations and applications
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Enzyme encapsulation in metal–organic frameworks for applications in catalysis
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An updated roadmap for the integration of metal–organic frameworks with electronic devices and chemical sensors
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Hierarchically porous UiO-66: facile synthesis, characterization and application
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Hierarchically porous metal–organic frameworks with single-crystal structures and their enhanced catalytic properties
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Increasing topological diversity during computational “synthesis” of porous crystals: how and why
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Geometry and energetics of CO adsorption on hydroxylated UiO-66
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H 5 PV 2 Mo 10 O 40 encapsulated in MIL-101(Cr): facile synthesis and characterization of rationally designed composite materials for efficient decontamination of sulfur mustard
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Dissolving uptake-hindering surface defects in metal–organic frameworks
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Polyoxometalate encapsulation into metal–organic frameworks: the way towards functional nanomaterials for water splitting
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Insights into CO 2 adsorption and chemical fixation properties of VPI-100 metal–organic frameworks
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Simulation of H 2 /CH 4 mixture permeation through MOF membranes using non-equilibrium molecular dynamics
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Energy-efficient separation alternatives: metal–organic frameworks and membranes for hydrocarbon separation
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Lewis acid sites in MOFs supports promoting the catalytic activity and selectivity for CO esterification to dimethyl carbonate
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The impact of an isoreticular expansion strategy on the performance of iodine catalysts supported in multivariate zirconium and aluminum metal–organic frameworks
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An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH 4 and H 2 adsorption
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January 2019 |
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High-throughput screening of metal–organic frameworks for kinetic separation of propane and propene
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journal
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January 2020 |
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Recent developments in the control of selectivity in hydrogenation reactions by confined metal functionalities
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journal
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January 2020 |
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Embedded homogeneous ultra-fine Pd nanoparticles within MOF ultra-thin nanosheets for heterogeneous catalysis
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journal
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January 2021 |
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Revealing the effect of structure curations on the simulated CO 2 separation performances of MOFs
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journal
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January 2020 |
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H 5 PV 2 Mo 10 O 40 encapsulated into Cu 3 (BTC) 2 as an efficient heterogeneous nanocrystalline catalyst for styrene epoxidation
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journal
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January 2020 |
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Reverse shape selectivity of hexane isomer in ligand inserted MOF-74
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journal
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January 2020 |
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Isolating reactive metal-based species in Metal–Organic Frameworks – viable strategies and opportunities
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journal
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January 2020 |
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Diagnosing surface versus bulk reactivity for molecular catalysis within metal–organic frameworks using a quantitative kinetic model
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journal
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January 2020 |
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Switchable molecular sieving of a capped metal organic framework membrane
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journal
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January 2020 |
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Synthesis, characterization and application of defective metal–organic frameworks: current status and perspectives
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journal
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January 2020 |
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Molecular dynamics of n-pentane in NaX zeolite studied by quasi-elastic neutron scattering
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journal
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January 1999 |
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Metal-organic frameworks
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journal
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January 2003 |
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Selective gas adsorption and separation in metal–organic frameworks
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journal
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January 2009 |
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A novel method to measure diffusion coefficients in porous metal–organic frameworks
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journal
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January 2010 |
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Intracrystalline diffusion in Metal Organic Framework during heterogeneous catalysis: Influence of particle size on the activity of MIL-100 (Fe) for oxidation reactions
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journal
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January 2011 |
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Diffusion in porous crystalline materials
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journal
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January 2012 |
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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journal
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December 2000 |
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
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Phase Transition for a Hard Sphere System
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journal
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November 1957 |
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Dynamical corrections to transition state theory for multistate systems: Surface self‐diffusion in the rare‐event regime
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journal
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January 1985 |
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A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
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journal
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October 1999 |
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Escaping free-energy minima
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journal
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September 2002 |
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Molecular modelling of adsorption in novel nanoporous metal–organic materials
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journal
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January 2004 |
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Classically exact overlayer dynamics: Diffusion of rhodium clusters on Rh(100)
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journal
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November 1986 |
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Diffusion in generalized lattice-gas models
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journal
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December 1998 |
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Statistical and sampling issues when using multiple particle tracking
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journal
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August 2007 |
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Use of the Boltzmann Equation to Simulate Lattice-Gas Automata
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journal
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November 1988 |
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Activation energy for surface diffusion of Si on Si(001): A scanning-tunneling-microscopy study
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journal
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April 1991 |
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Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics
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journal
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June 2003 |
The Cambridge Structural Database
- Groom, Colin R.; Bruno, Ian J.; Lightfoot, Matthew P.
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Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 72, Issue 2, p. 171-179
https://doi.org/10.1107/S2052520616003954
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journal
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April 2016 |
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The Chemistry and Applications of Metal-Organic Frameworks
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journal
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August 2013 |
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Defibrillation of soft porous metal-organic frameworks with electric fields
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journal
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October 2017 |
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Dynamic multinuclear sites formed by mobilized copper ions in NO x selective catalytic reduction
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journal
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August 2017 |
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Lattice Boltzmann Method for Fluid Flows
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journal
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January 1998 |
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Boltzmann Approach to Lattice Gas Simulations
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journal
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August 1989 |
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Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks
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journal
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June 2015 |
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Rotational Dynamics of Linkers in Metal–Organic Frameworks
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journal
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March 2019 |