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September 2019 |
Designer Metal–Organic Frameworks for Size‐Exclusion‐Based Hydrocarbon Separations: Progress and Challenges
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July 2020 |
Hydrogen Storage in Metal–Organic Frameworks
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September 2011 |
Direct observation of supramolecular binding of light hydrocarbons in vanadium( iii ) and ( iv ) metal–organic framework materials
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January 2018 |
A Breathing Hybrid Organic–Inorganic Solid with Very Large Pores and High Magnetic Characteristics
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January 2002 |
Zeolite membranes – a review and comparison with MOFs
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January 2015 |
Sorption of carbon dioxide, methane, nitrogen and carbon monoxide on MIL-101(Cr): Volumetric measurements and dynamic adsorption studies
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July 2012 |
Modulating supramolecular binding of carbon dioxide in a redox-active porous metal-organic framework
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February 2017 |
Interaction of Acid Gases SO 2 and NO 2 with Coordinatively Unsaturated Metal Organic Frameworks: M-MOF-74 (M = Zn, Mg, Ni, Co)
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May 2017 |
Influence of the Oxidation State of the Metal Center on the Flexibility and Adsorption Properties of a Porous Metal Organic Framework: MIL-47(V)
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September 2011 |
Applications of Zeolites to C1 Chemistry: Recent Advances, Challenges, and Opportunities
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July 2020 |
Seven chemical separations to change the world
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April 2016 |
Recent trends on density functional theory–assisted calculations of structures and properties of metal–organic frameworks and metal–organic frameworks-derived nanocarbons
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June 2020 |
Effect of acceptor strength on C–H ⋯ O hydrogen bond lengths as revealed by and quantified from crystallographic data
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January 1994 |
Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles
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January 2014 |
MOF-driven ultra-small hollow Co9S8 nanoparticles embedded in porous carbon for lithium-ion batteries
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May 2018 |
Membrane‐Based Olefin/Paraffin Separations
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August 2020 |
The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation
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January 2013 |
Molecular sieve membranes for N 2 /CH 4 separation
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July 2017 |
Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies
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August 2018 |
Reticular Chemistry 3.2: Typical Minimal Edge-Transitive Derived and Related Nets for the Design and Synthesis of Metal–Organic Frameworks
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April 2020 |
Vanadium metal–organic frameworks: structures and applications
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January 2014 |
A nitrogen-doped electrocatalyst from metal–organic framework-carbon nanotube composite
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November 2017 |
Optimized norm-conserving Vanderbilt pseudopotentials
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August 2013 |
New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH 3 , −CF 3 , −OH, −OCH 3 ): Synthesis, Characterization, and CO 2 Adsorption Properties
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October 2013 |
Introduction to Metal–Organic Frameworks
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September 2011 |
Exploration of the Long-Chain N -Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools
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June 2011 |
Understanding the Adsorption Mechanism of C 2 H 2 , CO 2 , and CH 4 in Isostructural Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites
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January 2013 |
Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework
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July 2016 |
Water–hydrocarbon interactions: Structure and internal rotation of the water–ethylene complex
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July 1986 |
Metal–Organic Frameworks with Metal–Catecholates for O 2 /N 2 Separation
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May 2019 |
Electronic Structure Modeling of Metal–Organic Frameworks
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July 2020 |
Selective gas adsorption and separation in metal–organic frameworks
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January 2009 |
Controlling flexibility of metal–organic frameworks
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October 2017 |
CO2 adsorption of three isostructural metal–organic frameworks depending on the incorporated highly polarized heterocyclic moieties
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January 2016 |
Adsorption on Fe-MOF-74 for C1–C3 Hydrocarbon Separation
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June 2013 |
Microporous Metal-Organic Framework Materials for Gas Separation
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February 2020 |
Energy-efficient separation alternatives: metal–organic frameworks and membranes for hydrocarbon separation
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January 2020 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
Adsorptive Separation of Methanol–Acetone on Isostructural Series of Metal–Organic Frameworks M-BTC (M = Ti, Fe, Cu, Co, Ru, Mo): A Computational Study of Adsorption Mechanisms and Metal-Substitution Impacts
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November 2015 |
Storage and Separation of CO 2 and CH 4 in Silicalite, C 168 Schwarzite, and IRMOF-1: A Comparative Study from Monte Carlo Simulation
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January 2007 |
Effect of Metal in M 3 (btc) 2 and M 2 (dobdc) MOFs for O 2 /N 2 Separations: A Combined Density Functional Theory and Experimental Study
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March 2015 |
Recent Progress Towards Light Hydrocarbon Separations Using Metal–Organic Frameworks
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May 2019 |
Enhancement of CO 2 Adsorption and Catalytic Properties by Fe-Doping of [Ga 2 (OH) 2 (L)] (H 4 L = Biphenyl-3,3′,5,5′-tetracarboxylic Acid), MFM-300(Ga 2 )
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January 2016 |
Reversible adsorption of nitrogen dioxide within a robust porous metal–organic framework
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June 2018 |
Adsorption of Ethane, Ethylene, Propane, and Propylene on a Magnesium-Based Metal–Organic Framework
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November 2011 |
Opportunities and critical factors of porous metal–organic frameworks for industrial light olefins separation
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January 2020 |
Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal–Organic Framework Platforms
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June 2018 |
Heterogeneous Catalysis in Zeolites, Mesoporous Silica, and Metal-Organic Frameworks
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June 2017 |
Separation of C2 hydrocarbons from methane in a microporous metal-organic framework
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February 2018 |
Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host
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September 2012 |
Catalysis using metal–organic framework-derived nanocarbons: Recent trends
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June 2020 |
Hydrogen storage in metal–organic frameworks
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January 2007 |
Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?
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May 2013 |
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
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June 2017 |
Carbon Dioxide Capture in Metal–Organic Frameworks
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September 2011 |
Hydrocarbon Separations in Metal–Organic Frameworks
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September 2013 |
VESTA : a three-dimensional visualization system for electronic and structural analysis
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May 2008 |
The pervasive chemistry of metal–organic frameworks
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January 2009 |
Quantum chemical studies of ethylene interaction with zeolite OH-groups
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January 1991 |
Inhomogeneous Electron Gas
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November 1964 |
Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains
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May 2013 |
Role of catalyst type in the selective separation of olefinic and paraffinic hydrocarbons using xerogel-based adsorbents
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June 2008 |
Metal-Organic Frameworks for Separation
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March 2018 |
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
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January 2014 |
Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal–organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements
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January 2010 |
Potential of microporous metal–organic frameworks for separation of hydrocarbon mixtures
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January 2016 |
Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory
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August 2019 |
Computer simulations for the adsorption and separation of CO2/CH4/H2/N2 gases by UMCM-1 and UMCM-2 metal organic frameworks
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January 2011 |
High-efficiency photocatalytic performance and mechanism of silver-based metal–organic framework
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February 2019 |
Using Site Heterogeneity in Metal–Organic Frameworks with Bimetallic Open Metal Sites for Olefin/Paraffin Separations
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May 2020 |
Carbon-Oxygen Hydrogen Bonding in Biological Structure and Function
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October 2012 |
MOF derived porous Co@C hexagonal-shaped prisms with high catalytic performance
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September 2016 |
Gas Adsorption on Zeolites at High Pressure
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January 1996 |
A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks
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August 2010 |
Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO 2 Capture Swing Adsorption Processes
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February 2018 |
Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions
- Van Heest, Timothy; Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.
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The Journal of Physical Chemistry C, Vol. 116, Issue 24, p. 13183-13195
https://doi.org/10.1021/jp302808j
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June 2012 |
Optimization algorithm for the generation of ONCV pseudopotentials
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November 2015 |
Supramolecular binding and separation of hydrocarbons within a functionalized porous metal–organic framework
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December 2014 |
Metal–Organic Frameworks as A Tunable Platform for Designing Functional Molecular Materials
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August 2013 |
Coordinatively unsaturated metal sites (open metal sites) in metal–organic frameworks: design and applications
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January 2020 |
C‒H‒O Hydrogen Bonding in Crystals
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August 1996 |
Advanced capabilities for materials modelling with Quantum ESPRESSO
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October 2017 |