Rapid Guest Exchange and Ultra-Low Surface Tension Solvents Optimize Metal-Organic Framework Activation
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October 2017 |
A homochiral metal–organic porous material for enantioselective separation and catalysis
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April 2000 |
Metal Organic Framework Adsorbent for Biogas Upgrading
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August 2008 |
Analysis of High and Selective Uptake of CO 2 in an Oxamide-Containing {Cu 2 (OOCR) 4 }-Based Metal-Organic Framework
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May 2014 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Removal of Carbon Dioxide from Natural Gas by Vacuum Pressure Swing Adsorption
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November 2006 |
Thermodynamics of mixed-gas adsorption
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January 1965 |
Projector augmented-wave method
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December 1994 |
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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December 1992 |
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
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January 2016 |
Development of the trappe force field for ammonia
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January 2010 |
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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April 2016 |
Metal−Organic Frameworks with Functional Pores for Recognition of Small Molecules
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August 2010 |
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N 2 and CH 4
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December 2013 |
Ab initio carbon capture in open-site metal–organic frameworks
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August 2012 |
Structure–property relationships of porous materials for carbon dioxide separation and capture
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January 2012 |
How Reproducible Are Isotherm Measurements in Metal–Organic Frameworks?
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November 2017 |
Pore size analysis of >250 000 hypothetical zeolites
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January 2011 |
Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes
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January 2019 |
Dynamic desorption of CO2 and CH4 from amino-MIL-53(Al) adsorbent
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August 2013 |
Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
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October 2014 |
Gas Adsorption and Separation by the Al-Based Metal–Organic Framework MIL-160
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November 2017 |
Adsorption Equilibrium of Methane, Carbon Dioxide, and Nitrogen on Zeolite 13X at High Pressures
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July 2004 |
Hydrogen storage in metal–organic frameworks
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January 2009 |
Recent developments in first-principles force fields for molecules in nanoporous materials
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January 2014 |
Effect of Framework Flexibility on C 8 Aromatic Adsorption at High Loadings in Metal–Organic Frameworks
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December 2015 |
High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO 2 /N 2 /CH 4 mixture
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January 2016 |
Separation of CO 2 from CH 4 Using Mixed-Ligand Metal−Organic Frameworks
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August 2008 |
Potential applications of metal-organic frameworks
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December 2009 |
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
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July 2017 |
An Extended Charge Equilibration Method
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August 2012 |
Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials
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January 2016 |
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
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March 1998 |
Experiments and simulations on separating a CO2/CH4 mixture using K-KFI at low and high pressures
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January 2014 |
Multicomponent adsorption of biogas compositions containing CO2, CH4 and N2 on Maxsorb and Cu-BTC using extended Langmuir and Doong–Yang models
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July 2015 |
Isoreticular rare earth fcu -MOFs for the selective removal of H 2 S from CO 2 containing gases
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September 2017 |
Ammonia Capture in Porous Organic Polymers Densely Functionalized with Brønsted Acid Groups
- Van Humbeck, Jeffrey F.; McDonald, Thomas M.; Jing, Xiaofei
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Journal of the American Chemical Society, Vol. 136, Issue 6, p. 2432-2440
https://doi.org/10.1021/ja4105478
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January 2014 |
Computational Study of Adsorption and Separation of CO 2 , CH 4 , and N 2 by an rht -Type Metal–Organic Framework
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August 2012 |
Ab Initio Derived Force Fields for Predicting CO 2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)
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June 2015 |
Adsorption of CO 2 , CH 4 , and N 2 on Ordered Mesoporous Carbon: Approach for Greenhouse Gases Capture and Biogas Upgrading
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May 2013 |
Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation
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July 2017 |
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
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February 2012 |
Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites
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January 2014 |
Hydrate-based CO2 capture and CH4 purification from simulated biogas with synergic additives based on gas solvent
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January 2016 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Methane purification by adsorptive processes on MIL-53(Al)
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March 2015 |
Assembly of a Porous Three-Dimensional Coordination Polymer: Crystal Structure of {[La 2 (adipate) 3 (H 2 O) 4 ]6H 2 O} n
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June 1998 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
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February 2015 |
Extraction of ethane from natural gas by adsorption on modified ETS-10
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April 2011 |
DFT-based force field development for noble gas adsorption in metal organic frameworks
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January 2015 |
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 |
Comparing the performance of a 13X zeolite and an impregnated activated carbon for H2S removal from biogas to fuel an SOFC: Influence of water
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November 2016 |
Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8
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August 2014 |
Overview on the current trends in biodiesel production
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July 2011 |
Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions
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January 2012 |
Fixed-bed adsorption of carbon dioxide/methane mixtures on silicalite pellets
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January 2006 |
Effects of Intrinsic Flexibility on Adsorption Properties of Metal–Organic Frameworks at Dilute and Nondilute Loadings
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July 2019 |
A Water-Stable Twofold Interpenetrating Microporous MOF for Selective CO 2 Adsorption and Separation
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November 2017 |
Kinetic Separation of Landfill Gas by a Two-Bed Pressure Swing Adsorption Process Packed with Carbon Molecular Sieve: Nonisothermal Operation
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July 2006 |
Postsynthetic modification of metal–organic frameworks
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January 2009 |
Biogas quality upgrade by simultaneous removal of CO2 and H2S in a packed column reactor
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December 2010 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Simultaneous biogas purification and CO2 capture by vacuum swing adsorption using zeolite NaUSY
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February 2018 |
De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities
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September 2010 |
Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks
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January 2012 |
Pressure Swing Adsorption for Biogas Upgrading. Effect of Recycling Streams in Pressure Swing Adsorption Design
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January 2011 |
Metal−Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature
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December 2005 |
Metal–Organic Framework Materials as Chemical Sensors
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September 2011 |
Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
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July 2001 |
CO2 separation and landfill biogas upgrading: A comparison of 4A and 13X zeolite adsorbents
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January 2011 |
Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations
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June 2010 |
Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide
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May 2015 |
Large-scale screening of hypothetical metal–organic frameworks
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November 2011 |
Adsorptive separation studies of ethane–methane and methane–nitrogen systems using mesoporous carbon
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March 2013 |
Homochiral Metal–Organic Frameworks for Asymmetric Heterogeneous Catalysis
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September 2011 |
Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
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February 2013 |
Gas adsorption separation of CO2/CH4 system using zeolite 5A
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December 2014 |
Design and analysis of siloxanes removal by adsorption from landfill gas for waste-to-energy processes
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March 2018 |
The Chemistry and Applications of Metal-Organic Frameworks
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August 2013 |
Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling
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January 2015 |
Carbon dioxide removal and capture for landfill gas up-grading
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January 2011 |
Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas
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April 2016 |
Finding MOFs for Highly Selective CO 2 /N 2 Adsorption Using Materials Screening Based on Efficient Assignment of Atomic Point Charges
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February 2012 |
Soft porous crystals
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November 2009 |
Biogas to Fuel by Vacuum Pressure Swing Adsorption I. Behavior of Equilibrium and Kinetic-Based Adsorbents
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May 2007 |
Rapid Guest Exchange and Ultra-Low Surface Tension Solvents Optimize Metal-Organic Framework Activation
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October 2017 |
Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas
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April 2016 |