Sorption Performance and Reproducibility of ZIF-8 Slurry for CO2/CH4 Separation with the Presence of Water in Solvent
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September 2018 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Underlying Polar and Nonpolar Modification MOF-Based Factors that Influence Permanent Porosity in Porous Liquids
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May 2022 |
Modeling Metal Influence on the Gate Opening in ZIF-8 Materials
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April 2021 |
The Role of Binary Mixtures of Ionic Liquids in ZIF-8 for Selective Gas Storage and Separation: A Perspective from Computational Approaches
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November 2020 |
Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
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April 2018 |
Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8
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November 2015 |
Thermodynamics and Kinetics of Gas Storage in Porous Liquids
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July 2016 |
Molecular dynamics simulations of stability and fluidity of porous liquids
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January 2021 |
Porous Molecular Solids and Liquids
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May 2017 |
Modelling and optimization of ethane recovery process from natural gas via ZIF-8/water-glycol slurry with low energy consumption
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January 2023 |
ZIF-L to ZIF-8 Transformation: Morphology and Structure Controls
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November 2022 |
Type 3 porous liquids based on non-ionic liquid phases – a broad and tailorable platform of selective, fluid gas sorbents
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January 2020 |
Design Principles Guiding Solvent Size Selection in ZIF-Based Type 3 Porous Liquids for Permanent Porosity
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December 2023 |
Type 3 Porous Liquids for the Separation of Ethane and Ethene
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December 2020 |
Porous liquids – the future is looking emptier
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January 2022 |
NMR and X-ray Study Revealing the Rigidity of Zeolitic Imidazolate Frameworks
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June 2012 |
Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems
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June 2010 |
Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size
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March 2020 |
Mechanisms behind high CO2/CH4 selectivity using ZIF-8 metal organic frameworks with encapsulated ionic liquids: A computational study
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September 2021 |
Molecular Simulation of CO2 and H2 Encapsulation in a Nanoscale Porous Liquid
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January 2023 |
Porous Liquids: The Next Frontier
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December 2020 |
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
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February 2009 |
Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study
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January 2012 |
Engineering Permanent Porosity into Liquids
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March 2021 |
Evidence of Gate-Opening on Xenon Adsorption on ZIF-8: An Adsorption and Computer Simulation Study
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July 2016 |
Water-Lean Solvents for Post-Combustion CO 2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook
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May 2017 |
ZIF-8 gate tuning via terminal group modification: A computational study
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August 2016 |
Porous liquids based on porous cages, metal organic frameworks and metal organic polyhedra
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May 2019 |
Transforming Metal–Organic Frameworks into Porous Liquids via a Covalent Linkage Strategy for CO2 Capture
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January 2021 |
Direct Capture of CO2 from Ambient Air
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August 2016 |
Research Progress of Porous Liquids
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November 2020 |
Molecular dynamics simulations at constant pressure and/or temperature
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February 1980 |
Oxygen condensation in ZIF-8 upon ‘gate opening’ structural transition
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August 2019 |
Experimental and Computational Mechanisms that Govern Long-Term Stability of CO2-Adsorbed ZIF-8-Based Porous Liquids
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June 2023 |
pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules
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January 2015 |
Computational investigation on interaction mechanism of sulfur mustard adsorption by zeolitic imidazolate frameworks ZIF-8 and ZIF-67: Insights from periodic and cluster DFT calculations
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December 2021 |
High-throughput screening of metal–organic frameworks for kinetic separation of propane and propene
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January 2020 |
A review of the features and applications of ZIF-8 and its derivatives for separating CO2 and isomers of C3- and C4- hydrocarbons
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December 2021 |
Role of crystal size on swing-effect and adsorption induced structure transition of ZIF-8
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January 2016 |
Porous Metal–Organic Framework Liquids for Enhanced CO
2
Adsorption and Catalytic Conversion
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August 2021 |
A comparative review between amines and ammonia as sorptive media for post-combustion CO 2 capture
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June 2015 |
Porous Liquids: A Promising Class of Media for Gas Separation
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November 2014 |
Coordination cages as permanently porous ionic liquids
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February 2020 |
Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations
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June 2011 |
Synthesis of hierarchical porous ZIF-8/3DCNTs composite sensor for ultrasensitive detection of DA and DFT studies
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December 2020 |
Molecular Dynamics Simulations on Gate Opening in ZIF-8: Identification of Factors for Ethane and Propane Separation
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June 2013 |
Molecular dynamics with coupling to an external bath
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October 1984 |
Porous Liquids: Computational Design for Targeted Gas Adsorption
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April 2022 |
Unraveling the Molecular Details of the “Gate Opening” Phenomenon in ZIF-8 with X-ray Absorption Spectroscopy
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March 2022 |
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
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May 2012 |
Photoresponsive Type III Porous Liquids
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December 2022 |
Zeolitic imidazolate frameworks-based porous liquids with low viscosity for CO2 and toluene uptakes
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August 2021 |
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
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December 2009 |
Exploring cavities in Type II porous liquids with xenon
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January 2023 |
Zeolitic imidazole frameworks: structural and energetics trends compared with their zeolite analogues
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January 2009 |
Porous Liquid: A Stable ZIF-8 Colloid in Ionic Liquid with Permanent Porosity
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March 2018 |
Comparison of the Behavior of Metal–Organic Frameworks and Zeolites for Hydrocarbon Separations
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March 2012 |
Ab initio molecular simulations with numeric atom-centered orbitals
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November 2009 |
Recent progress and new developments in post-combustion carbon-capture technology with amine based solvents
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September 2015 |
PACKMOL: A package for building initial configurations for molecular dynamics simulations
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October 2009 |
Thermochemistry of Zeolitic Imidazolate Frameworks of Varying Porosity
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December 2012 |
The Dam Bursts for Porous Liquids
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March 2016 |
Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles
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September 2021 |
Accelerated Systematic Investigation of Solvents Suitability for Type II/III Porous Liquids
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January 2023 |
Investigation of the effect of energy variation and structure change on the adsorption of volatile organic compounds in ZIF-8 by a DFT approach
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August 2017 |
General Way To Construct Micro- and Mesoporous Metal–Organic Framework-Based Porous Liquids
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November 2019 |
The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science
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May 2014 |
Gate-opening effect in ZIF-8: the first experimental proof using inelastic neutron scattering
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January 2016 |
A universal approach to turn UiO-66 into type 1 porous liquids via post-synthetic modification with corona-canopy species for CO2 capture
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July 2021 |
Efficient integration for all-electron electronic structure calculation using numeric basis functions
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December 2009 |
New Class of Type III Porous Liquids: A Promising Platform for Rational Adjustment of Gas Sorption Behavior
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December 2017 |
Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular Simulations
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December 2015 |
Practical considerations in the design and use of porous liquids
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January 2022 |