On the public citation graph

Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study

https://doi.org/10.1021/jp802343n
0 signed · 178 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/aic.11298openalex-snapshot
Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework
inferredcites →https://doi.org/10.1002/aic.690110125openalex-snapshot
Thermodynamics of mixed‐gas adsorption
inferredcites →https://doi.org/10.1002/aic.690460412openalex-snapshot
Separation of light gas mixtures using SAPO‐34 membranes
inferredcites →https://doi.org/10.1002/anie.200461214openalex-snapshot
Highly Interpenetrated Metal–Organic Frameworks for Hydrogen Storage
inferredcites →https://doi.org/10.1002/anie.200461895openalex-snapshot
Direct Observation of Hydrogen Molecules Adsorbed onto a Microporous Coordination Polymer
inferredcites →https://doi.org/10.1002/anie.200462786openalex-snapshot
Strategies for Hydrogen Storage in Metal–Organic Frameworks
inferredcites →https://doi.org/10.1002/anie.200502844openalex-snapshot
A Microporous Metal–Organic Framework for Gas‐Chromatographic Separation of Alkanes
inferredcites →https://doi.org/10.1002/anie.200600105openalex-snapshot
Hydrogen Storage in the Giant‐Pore Metal–Organic Frameworks MIL‐100 and MIL‐101
inferredcites →https://doi.org/10.1002/cphc.200600191openalex-snapshot
Electrostatic‐Field‐Induced Enhancement of Gas Mixture Separation in Metal‐Organic Frameworks: A Computational Study
inferredcites →https://doi.org/10.1016/j.fluid.2007.07.042openalex-snapshot
Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1
inferredcites →https://doi.org/10.1016/j.memsci.2005.06.030openalex-snapshot
Predictions of selectivity and flux for CH4/H2 separations using single walled carbon nanotubes as membranes
inferredcites →https://doi.org/10.1016/s0009-2509(03)00304-xopenalex-snapshot
Non-equilibrium molecular dynamics simulation of gas separation in a microporous carbon membrane
inferredcites →https://doi.org/10.1021/ic060437topenalex-snapshot
Hydrogen Adsorption in an Interpenetrated Dynamic Metal−Organic Framework
inferredcites →https://doi.org/10.1021/ic7014034openalex-snapshot
A Triply Interpenetrated Microporous Metal−Organic Framework for Selective Sorption of Gas Molecules
inferredcites →https://doi.org/10.1021/ja00051a040openalex-snapshot
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
inferredcites →https://doi.org/10.1021/ja039215+openalex-snapshot
Molecular Dynamics Simulations of Gas Diffusion in Metal−Organic Frameworks: Argon in CuBTC
inferredcites →https://doi.org/10.1021/ja056639qopenalex-snapshot
Effects of Functionalization, Catenation, and Variation of the Metal Oxide and Organic Linking Units on the Low-Pressure Hydrogen Adsorption Properties of Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/ja061681mopenalex-snapshot
Hydrogen Storage in Metal−Organic Frameworks by Bridged Hydrogen Spillover
inferredcites →https://doi.org/10.1021/ja064343uopenalex-snapshot
Synthesis of MIL-102, a Chromium Carboxylate Metal−Organic Framework, with Gas Sorption Analysis
inferredcites →https://doi.org/10.1021/ja067435sopenalex-snapshot
Framework-Catenation Isomerism in Metal−Organic Frameworks and Its Impact on Hydrogen Uptake
inferredcites →https://doi.org/10.1021/ja076595gopenalex-snapshot
Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks
inferredcites →https://doi.org/10.1021/ja076877gopenalex-snapshot
Impact of Preparation and Handling on the Hydrogen Storage Properties of Zn 4 O(1,4-benzenedicarboxylate) 3 (MOF-5)
inferredcites →https://doi.org/10.1021/ja7102108openalex-snapshot
Matrix Isolation Chemistry in a Porous Metal−Organic Framework: Photochemical Substitutions of N2 and H2 in Zn4O[(η6-1,4-Benzenedicarboxylate)Cr(CO)3]3
inferredcites →https://doi.org/10.1021/jp025895bopenalex-snapshot
Atomistic Simulations of CO2 and N2 Adsorption in Silica Zeolites: The Impact of Pore Size and Shape
inferredcites →https://doi.org/10.1021/jp0477856openalex-snapshot
Assessment of Isoreticular Metal−Organic Frameworks for Adsorption Separations: A Molecular Simulation Study of Methane/n-Butane Mixtures
inferredcites →https://doi.org/10.1021/jp050948lopenalex-snapshot
Adsorption of Gases in Metal Organic Materials: Comparison of Simulations and Experiments
inferredcites →https://doi.org/10.1021/jp051771yopenalex-snapshot
Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jp051903nopenalex-snapshot
Molecular Simulation of Adsorption and Diffusion of Hydrogen in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp060433+openalex-snapshot
Effects of Surface Area, Free Volume, and Heat of Adsorption on Hydrogen Uptake in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp062723wopenalex-snapshot
Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp071449iopenalex-snapshot
Experimental and Theoretical Studies of Gas Adsorption in Cu3(BTC)2: An Effective Activation Procedure
inferredcites →https://doi.org/10.1021/jp0721898openalex-snapshot
Kinetic Separation of Hexane Isomers by Fixed-Bed Adsorption with a Microporous Metal−Organic Framework
inferredcites →https://doi.org/10.1021/jp075290lopenalex-snapshot
Screening Metal−Organic Framework Materials for Membrane-based Methane/Carbon Dioxide Separations
inferredcites →https://doi.org/10.1021/jp075782yopenalex-snapshot
Probing the Adsorption Sites for CO2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory
inferredcites →https://doi.org/10.1021/jp076657popenalex-snapshot
Design Requirements for Metal-Organic Frameworks as Hydrogen Storage Materials
inferredcites →https://doi.org/10.1021/jp077387dopenalex-snapshot
Computational Study of CO2 Storage in Metal−Organic Frameworks
inferredcites →https://doi.org/10.1021/jp077618gopenalex-snapshot
A Microporous Metal−Organic Framework for Separation of CO2/N2 and CO2/CH4 by Fixed-Bed Adsorption
inferredcites →https://doi.org/10.1021/jp972543+openalex-snapshot
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n -Alkanes
inferredcites →https://doi.org/10.1021/la0355500openalex-snapshot
Design of New Materials for Methane Storage
inferredcites →https://doi.org/10.1021/la061871aopenalex-snapshot
Argon Adsorption on Cu3(Benzene-1,3,5-tricarboxylate)2(H2O)3 Metal−Organic Framework
inferredcites →https://doi.org/10.1021/la062289popenalex-snapshot
Storage and Separation of CO2 and CH4 in Silicalite, C168 Schwarzite, and IRMOF-1: A Comparative Study from Monte Carlo Simulation
inferredcites →https://doi.org/10.1039/b511962fopenalex-snapshot
Metal–organic frameworks—prospective industrial applications
inferredcites →https://doi.org/10.1039/b618320bopenalex-snapshot
Hybrid porous solids: past, present, future
inferredcites →https://doi.org/10.1063/1.1423665openalex-snapshot
Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations
inferredcites →https://doi.org/10.1063/1.1766019openalex-snapshot
Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates
inferredcites →https://doi.org/10.1063/1.881812openalex-snapshot
Understanding Molecular Simulation: From Algorithms to Applications
inferredcites →https://doi.org/10.1126/science.1067208openalex-snapshot
Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4749204openalex-extracted
Advancing Co2 Hydrogenation to Formic Acid: Dft Insights into Frustrated Lewis Pair-Functionalized Uio-67 Catalysts
inferred← citeshttps://doi.org/10.1002/0471440264.pst624openalex-snapshot
Recent Advances in Porous Coordination Polymers
inferred← citeshttps://doi.org/10.1002/adma.201002854openalex-snapshot
Metal‐Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials
inferred← citeshttps://doi.org/10.1002/aic.12312openalex-snapshot
Optimization of the separation of sulfur hexafluoride and nitrogen by selective adsorption using monte carlo simulations
inferred← citeshttps://doi.org/10.1002/aic.12397openalex-snapshot
Computational screening of metal‐organic frameworks for xenon/krypton separation
inferred← citeshttps://doi.org/10.1002/aic.12744openalex-snapshot
Large‐scale computational screening of metal‐organic frameworks for CH4/H2 separation
inferred← citeshttps://doi.org/10.1002/chem.201002818openalex-snapshot
Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal–Organic Framework Structures
inferred← citeshttps://doi.org/10.1002/cphc.201300682openalex-snapshot
Predicting Low‐Pressure O2 Adsorption in Nanoporous Framework Materials for Sensing Applications
inferred← citeshttps://doi.org/10.1002/cphc.201600836openalex-snapshot
Ethylene Epoxidation with Nitrous Oxide over Fe–BTC Metal–Organic Frameworks: A DFT Study
inferred← citeshttps://doi.org/10.1002/smll.202300551openalex-snapshot
Graphene‐Encapsulated Bifunctional Catalysts with High Activity and Durability for Zn–Air Battery
inferred← citeshttps://doi.org/10.1007/128_2013_490openalex-snapshot
Large-Scale Generation and Screening of Hypothetical Metal-Organic Frameworks for Applications in Gas Storage and Separations
inferred← citeshttps://doi.org/10.1007/978-981-13-3504-4_12openalex-snapshot
CO2 Storage on Metal-Organic Frameworks
inferred← citeshttps://doi.org/10.1007/s10450-014-9609-9openalex-snapshot
Methane preconcentration by adsorption: a methodology for materials and conditions selection
inferred← citeshttps://doi.org/10.1007/s10450-016-9765-1openalex-snapshot
Adsorption of hydrogen and methane on intrinsic and alkali metal cations-doped Zn2(NDC)2(diPyTz) metal–organic framework using GCMC simulations
inferred← citeshttps://doi.org/10.1007/s10450-016-9842-5openalex-snapshot
Investigation on the selective adsorption and separation properties of coal mine methane in ZIF-68 by molecular simulations
inferred← citeshttps://doi.org/10.1007/s11237-009-9096-3openalex-snapshot
Role of the chemical structure of metal–organic framework compounds in the adsorption of hydrogen
inferred← citeshttps://doi.org/10.1007/s41061-019-0276-xopenalex-snapshot
Insights into the Gas Adsorption Mechanisms in Metal–Organic Frameworks from Classical Molecular Simulations
inferred← citeshttps://doi.org/10.1016/b978-0-443-15259-7.00018-8openalex-snapshot
Metal-organic frameworks: computational modeling in ionic compounds
inferred← citeshttps://doi.org/10.1016/j.cej.2021.131239openalex-snapshot
Assessing CH4/N2 separation potential of MOFs, COFs, IL/MOF, MOF/Polymer, and COF/Polymer composites
inferred← citeshttps://doi.org/10.1016/j.cej.2024.155569openalex-snapshot
Recent advances in porous organic polymers for sustainable gas separations
inferred← citeshttps://doi.org/10.1016/j.cejgas.2026.100025openalex-snapshot
High-throughput computational screening of metal organic frameworks (MOFs) for CO2 selective separations: trends, challenges, and future perspectives
inferred← citeshttps://doi.org/10.1016/j.ces.2011.04.004openalex-snapshot
Molecular simulation studies of separation of CH4/H2 mixture in metal-organic frameworks with interpenetration and mixed-ligand
inferred← citeshttps://doi.org/10.1016/j.ces.2011.09.009openalex-snapshot
Effect of temperature on gas adsorption and separation in ZIF-8: A combined experimental and molecular simulation study
inferred← citeshttps://doi.org/10.1016/j.ces.2013.05.009openalex-snapshot
Adsorption and separation of CH4/H2 in MIL-101s by molecular simulation study
inferred← citeshttps://doi.org/10.1016/j.ces.2014.08.003openalex-snapshot
Computational exploration of metal–organic frameworks for CO2/CH4 separation via temperature swing adsorption
inferred← citeshttps://doi.org/10.1016/j.cpc.2015.11.016openalex-snapshot
pyIAST: Ideal adsorbed solution theory (IAST) Python package
inferred← citeshttps://doi.org/10.1016/j.fluid.2018.01.028openalex-snapshot
Semiclassical SAFT-VR-2D modeling of adsorption selectivities for binary mixtures of hydrogen and methane adsorbed onto MOFs
inferred← citeshttps://doi.org/10.1016/j.fluid.2019.112432openalex-snapshot
Computational comparison of the application of doping, functionalization and ion exchanged of adsorbent structures on the pressure swing adsorption
inferred← citeshttps://doi.org/10.1016/j.gee.2020.09.016openalex-snapshot
Covalent organic framework shows high isobutene adsorption selectivity from C4 hydrocarbons: Mechanism of interpenetration isomerism and pedal motion
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2013.05.140openalex-snapshot
Catenated metal-organic frameworks: Promising hydrogen purification materials and high hydrogen storage medium with further lithium doping
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2020.07.041openalex-snapshot
Computational screening of metal-organic frameworks with open copper sites for hydrogen purification
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2023.11.011openalex-snapshot
Nuclear magnetic resonance and molecular simulation study of H2 and CH4 adsorption onto shale and sandstone for hydrogen geological storage
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.152499openalex-snapshot
Unraveling H2 dissociation in CO2 hydrogenation on frustrated Lewis pair-functionalized UiO–67: DFT and nuclear quantum effects
inferred← citeshttps://doi.org/10.1016/j.inoche.2019.107503openalex-snapshot
Two interpenetrated metal-organic frameworks: The CH4 and CO2 adsorption and in-situ XRD studies
inferred← citeshttps://doi.org/10.1016/j.jcat.2024.115571openalex-snapshot
Advancing CO2 hydrogenation to formic Acid: DFT insights into Frustrated Lewis Pair−Functionalized UiO−67 catalysts
inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116275openalex-snapshot
Unlocking efficient CO2–to–methanol conversion on frustrated Lewis pair-functionalized UiO–67: A synergistic approach using DFT and SISSO
inferred← citeshttps://doi.org/10.1016/j.jngse.2019.102980openalex-snapshot
Molecular simulation of flue gas and CH4 competitive adsorption in dry and wet coal
inferred← citeshttps://doi.org/10.1016/j.mcat.2023.113116openalex-snapshot
Aluminum‐based metal‐organic framework support metal(II)-hydride as catalyst for the hydrogenation of carbon dioxide to formic acid: A computational study
inferred← citeshttps://doi.org/10.1016/j.micromeso.2011.09.004openalex-snapshot
CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)
inferred← citeshttps://doi.org/10.1016/j.micromeso.2012.04.042openalex-snapshot
Reprint of: CO2/CH4, CH4/H2 and CO2/CH4/H2 separations at high pressures using Mg2(dobdc)
inferred← citeshttps://doi.org/10.1016/j.micromeso.2015.02.034openalex-snapshot
Computational screening of covalent organic frameworks for CH4/H2, CO2/H2 and CO2/CH4 separations
inferred← citeshttps://doi.org/10.1016/j.micromeso.2016.01.030openalex-snapshot
Rationally tuning the separation performances of [M3(HCOO)6] frameworks for CH4/N2 mixtures via metal substitution
inferred← citeshttps://doi.org/10.1016/j.micromeso.2021.111559openalex-snapshot
The experimental and theory research on the sorption kinetic of CH4 and C2H4 in ZIF-8/water-glycol slurry
inferred← citeshttps://doi.org/10.1016/j.molliq.2016.01.006openalex-snapshot
Adsorption of He–Ar binary mixture on the silver nanoclusters: A molecular dynamics investigation on the effects mole fraction of mixture, shape and size of the nanocluster
inferred← citeshttps://doi.org/10.1016/j.poly.2014.12.029openalex-snapshot
A series of entangled Cd(II) coordination polymers assembled from different dicarboxylate acids and a flexible imidazole-based ligand
inferred← citeshttps://doi.org/10.1016/s1004-9541(08)60247-5openalex-snapshot
Enhanced Methane Adsorption in Catenated Metal-organic Frameworks: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1016/s1004-9541(08)60277-3openalex-snapshot
Molecular Simulation of CO2/H2 Mixture Separation in Metal-organic Frameworks: Effect of Catenation and Electrostatic Interactions
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5c00617openalex-snapshot
Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.3c03384openalex-snapshot
Molecular Simulation of H2 Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage
inferred← citeshttps://doi.org/10.1021/acs.iecr.5b01901openalex-snapshot
Identifying Highly Selective Metal Organic Frameworks for CH4/H2 Separations Using Computational Tools
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.7b02143openalex-snapshot
Coordinatively Unsaturated Metal–Organic Frameworks M3(btc)2 (M = Cr, Fe, Co, Ni, Cu, and Zn) Catalyzing the Oxidation of CO by N2O: Insight from DFT Calculations
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00226openalex-snapshot
PHAHST Potential: Modeling Sorption in a Dispersion-Dominated Environment
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c02280openalex-snapshot
New Discovery of Metal–Organic Framework UTSA-280: Ultrahigh Adsorption Selectivity of Krypton over Xenon
inferred← citeshttps://doi.org/10.1021/acsami.6b01626openalex-snapshot
Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study
inferred← citeshttps://doi.org/10.1021/acsami.7b18037openalex-snapshot
High-Throughput Computational Screening of the Metal Organic Framework Database for CH4/H2 Separations
inferred← citeshttps://doi.org/10.1021/acsanm.3c03682openalex-snapshot
Nanoporous 3D Covalent Organic Frameworks with pts Topology as Anticancer Drug Nanocarriers
inferred← citeshttps://doi.org/10.1021/acsomega.3c06475openalex-snapshot
Molecular Simulation of H 2 /CH 4 Mixture Storage and Adsorption in Kaolinite Nanopores for Underground Hydrogen Storage
inferred← citeshttps://doi.org/10.1021/cg3009688openalex-snapshot
Computer-Aided Design of Interpenetrated Tetrahydrofuran-Functionalized 3D Covalent Organic Frameworks for CO2 Capture
inferred← citeshttps://doi.org/10.1021/cg400587jopenalex-snapshot
A Highly Chemical and Thermal Stable Porous Metal–Organic Framework with Unusual 5-Connected zfy Topology
inferred← citeshttps://doi.org/10.1021/cg400756zopenalex-snapshot
Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties
inferred← citeshttps://doi.org/10.1021/cg401180ropenalex-snapshot
High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal–Organic Framework
inferred← citeshttps://doi.org/10.1021/cg900980yopenalex-snapshot
Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties
inferred← citeshttps://doi.org/10.1021/cr2003272openalex-snapshot
Carbon Dioxide Capture in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/cr400005fopenalex-snapshot
Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
inferred← citeshttps://doi.org/10.1021/ie202219wopenalex-snapshot
Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal–Organic Framework Materials
inferred← citeshttps://doi.org/10.1021/ie8010885openalex-snapshot
Assessment of a Metal−Organic Framework Membrane for Gas Separations Using Atomically Detailed Calculations: CO2, CH4, N2, H2 Mixtures in MOF-5
inferred← citeshttps://doi.org/10.1021/ie901488fopenalex-snapshot
Comparative Study of Separation Performance of COFs and MOFs for CH4/CO2/H2 Mixtures
inferred← citeshttps://doi.org/10.1021/ja309992aopenalex-snapshot
Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal–Organic Frameworks To Sharply Enhance the Selectivity for CO2
inferred← citeshttps://doi.org/10.1021/jacs.5b04077openalex-snapshot
Condensation of Methane in the Metal–Organic Framework IRMOF-1: Evidence for Two Critical Points
inferred← citeshttps://doi.org/10.1021/jacs.8b13667openalex-snapshot
Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp101531mopenalex-snapshot
Molecular Simulation Studies of Separation of CO 2 /N 2 , CO 2 /CH 4 , and CH 4 /N 2 by ZIFs
inferred← citeshttps://doi.org/10.1021/jp102881eopenalex-snapshot
Molecular Simulation Study of CH4/H2 Mixture Separations Using Metal Organic Framework Membranes and Composites
inferred← citeshttps://doi.org/10.1021/jp103778jopenalex-snapshot
Unraveling the High Uptake and Selectivity of CO2 in the Zeolitic Imidazolate Frameworks ZIF-68 and ZIF-69
inferred← citeshttps://doi.org/10.1021/jp105519hopenalex-snapshot
Molecular Simulations and Experimental Studies of CO2, CO, and N2 Adsorption in Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp203522uopenalex-snapshot
Separation of CO2 Mixtures Using Zn(bdc)(ted)0.5 Membranes and Composites: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/jp210082fopenalex-snapshot
Ion Exchange in Metal–Organic Framework for Water Purification: Insight from Molecular Simulation
inferred← citeshttps://doi.org/10.1021/jp302749topenalex-snapshot
Effect of Pore Morphology on the Adsorption of Methane/Hydrogen Mixtures on Carbon Micropores
inferred← citeshttps://doi.org/10.1021/jp311641gopenalex-snapshot
Thermodynamic Control of Metal Loading and Composition of Carbon Aerogel Supported Pt–Cu Alloy Nanoparticles by Supercritical Deposition
inferred← citeshttps://doi.org/10.1021/jp405178popenalex-snapshot
Production of Formic Acid via Hydrogenation of CO 2 over a Copper-Alkoxide-Functionalized MOF: A Mechanistic Study
inferred← citeshttps://doi.org/10.1021/jp511185popenalex-snapshot
Hydration of Carbon Dioxide in Copper-Alkoxide Functionalized Metal–Organic Frameworks: A DFT Study
inferred← citeshttps://doi.org/10.1021/jp809373ropenalex-snapshot
Understanding the Adsorption and Diffusion of Carbon Dioxide in Zeolitic Imidazolate Frameworks: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/jp809539wopenalex-snapshot
Fuel Gas Storage and Separations by Metal−Organic Frameworks: Simulated Adsorption Isotherms for H2 and CH4 and Their Equimolar Mixture
inferred← citeshttps://doi.org/10.1021/jp902253popenalex-snapshot
Molecular Insight into Adsorption and Diffusion of Alkane Isomer Mixtures in Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jp908978qopenalex-snapshot
Molecular Simulation for Adsorption and Separation of CH4/H2 in Zeolitic Imidazolate Frameworks
inferred← citeshttps://doi.org/10.1021/la803074gopenalex-snapshot
Molecular Simulations for Adsorptive Separation of CO2/CH4 Mixture in Metal-Exposed, Catenated, and Charged Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/la8035902openalex-snapshot
Molecular Simulation Study of the Stepped Behaviors of Gas Adsorption in Two-Dimensional Covalent Organic Frameworks
inferred← citeshttps://doi.org/10.1021/la900823dopenalex-snapshot
Comparative Molecular Simulation Study of CO2/N2 and CH4/N2 Separation in Zeolites and Metal−Organic Frameworks
inferred← citeshttps://doi.org/10.1021/la901438xopenalex-snapshot
Efficient Methods for Screening of Metal Organic Framework Membranes for Gas Separations Using Atomically Detailed Models
inferred← citeshttps://doi.org/10.1021/la903643fopenalex-snapshot
Studies of Capillary Phase Transitions of Methane in Metal−Organic Frameworks by Gauge Cell Monte Carlo Simulation
inferred← citeshttps://doi.org/10.1038/nchem.1192openalex-snapshot
Large-scale screening of hypothetical metal–organic frameworks
inferred← citeshttps://doi.org/10.1038/nchem.2430openalex-snapshot
Controlled partial interpenetration in metal–organic frameworks
inferred← citeshttps://doi.org/10.1038/ncomms14460openalex-snapshot
Reversed thermo-switchable molecular sieving membranes composed of two-dimensional metal-organic nanosheets for gas separation
inferred← citeshttps://doi.org/10.1038/s41467-025-66510-4openalex-snapshot
Thermal transport mechanisms in ZIFs
inferred← citeshttps://doi.org/10.1039/b802426jopenalex-snapshot
Selective gas adsorption and separation in metal–organic frameworks
inferred← citeshttps://doi.org/10.1039/b803498mopenalex-snapshot
Using molecular simulation to characterise metal–organic frameworks for adsorption applications
inferred← citeshttps://doi.org/10.1039/b900390hopenalex-snapshot
Enhancement of CO2/N2 selectivity in a metal-organic framework by cavity modification
inferred← citeshttps://doi.org/10.1039/b912407aopenalex-snapshot
Li-modified metal–organic frameworks for CO 2 /CH 4 separation: a route to achieving high adsorption selectivity
inferred← citeshttps://doi.org/10.1039/c0ee00630kopenalex-snapshot
Biofuel purification by pervaporation and vapor permeation in metal–organic frameworks: a computational study
inferred← citeshttps://doi.org/10.1039/c0jm01045fopenalex-snapshot
Understanding gas separation in metal–organic frameworks using computer modeling
inferred← citeshttps://doi.org/10.1039/c0nr00042fopenalex-snapshot
Sorbents for CO2 capture from flue gas—aspects from materials and theoretical chemistry
inferred← citeshttps://doi.org/10.1039/c1cs15221aopenalex-snapshot
Progress in adsorption-based CO 2 capture by metal–organic frameworks
inferred← citeshttps://doi.org/10.1039/c2dt11899hopenalex-snapshot
Entangled coordination polymers with mixed N- and O-donor organic linkers: A case of module-matching priority
inferred← citeshttps://doi.org/10.1039/c3ra47429aopenalex-snapshot
Effects of substituent groups on methane adsorption in covalent organic frameworks
inferred← citeshttps://doi.org/10.1039/c4cc05729eopenalex-snapshot
A new tetrazolate zeolite-like framework for highly selective CO 2 /CH 4 and CO 2 /N 2 separation
inferred← citeshttps://doi.org/10.1039/c4cp05498aopenalex-snapshot
New insights into the ideal adsorbed solution theory
inferred← citeshttps://doi.org/10.1039/c5cc01635eopenalex-snapshot
A mesoporous metal–organic framework based on a shape-persistent macrocycle
inferred← citeshttps://doi.org/10.1039/c6cp03940eopenalex-snapshot
Selective gas capture via kinetic trapping
inferred← citeshttps://doi.org/10.1039/c6ra08778gopenalex-snapshot
Tuning the adsorption and separation properties of noble gases and N 2 in CuBTC by ligand functionalization
inferred← citeshttps://doi.org/10.1039/c7cp07550bopenalex-snapshot
A computational study of the catalytic aerobic epoxidation of propylene over the coordinatively unsaturated metal–organic framework Fe 3 (btc) 2 : formation of propylene oxide and competing reactions
inferred← citeshttps://doi.org/10.1039/c8cp06841kopenalex-snapshot
Computational study of the carbonyl–ene reaction between formaldehyde and propylene encapsulated in coordinatively unsaturated metal–organic frameworks M 3 (btc) 2 (M = Fe, Co, Ni, Cu and Zn)
inferred← citeshttps://doi.org/10.1039/d1me00060hopenalex-snapshot
Zr-MOFs for CF 4 /CH 4 , CH 4 /H 2 , and CH 4 /N 2 separation: towards the goal of discovering stable and effective adsorbents
inferred← citeshttps://doi.org/10.1039/d2me00130fopenalex-snapshot
Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF 4 /CH 4 , CH 4 /H 2 , CH 4 /N 2 , and N 2 /H 2 mixtures
inferred← citeshttps://doi.org/10.1039/d3dt01143gopenalex-snapshot
Rapid diffusion of H 2 and strong adsorption of D 2 in Ni-4PyC realized the efficient separation of H 2 /D 2 by gas chromatography
inferred← citeshttps://doi.org/10.1063/1.3573902openalex-snapshot
Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation
inferred← citeshttps://doi.org/10.1063/1.4998550openalex-snapshot
An Ising model for metal-organic frameworks
inferred← citeshttps://doi.org/10.1063/5.0067172openalex-snapshot
Gas adsorption and separation in metal–organic frameworks by PC-SAFT based density functional theory
inferred← citeshttps://doi.org/10.1080/08927020802412644openalex-snapshot
Adsorption of methane in heterometallic metal-organic frameworks with anions: a molecular simulation study
inferred← citeshttps://doi.org/10.1080/08927020802609447openalex-snapshot
Methane diffusion mechanism in catenated metal–organic frameworks
inferred← citeshttps://doi.org/10.1080/08927020902824839openalex-snapshot
Molecular simulation study of the quantum effects of hydrogen adsorption in metal-organic frameworks: influences of pore size and temperature
inferred← citeshttps://doi.org/10.1080/08927020902988865openalex-snapshot
Effects of the side pockets on gas separation in metal-organic framework Cu-BTC: a molecular simulation study
inferred← citeshttps://doi.org/10.1080/08927022.2011.602974openalex-snapshot
Enhanced selectivity and capacity of adsorption of CO2and CH4in zeolite-like metal-organic frameworks with different extra-framework cations: a molecular simulation study
inferred← citeshttps://doi.org/10.1080/08927022.2012.655732openalex-snapshot
Zeolitic imidazolate framework-7 as an ultra-selective nanofilter for H2purification: atomistic simulation study
inferred← citeshttps://doi.org/10.1080/08927022.2012.700485openalex-snapshot
Gas adsorption and diffusion in a highly CO2selective metal–organic framework: molecular simulations
inferred← citeshttps://doi.org/10.1080/08927022.2013.811722openalex-snapshot
Simulation of separation of C2H6from CH4using zeolitic imidazolate frameworks
inferred← citeshttps://doi.org/10.1088/1361-6463/aa87e9openalex-snapshot
Computational materials chemistry for carbon capture using porous materials
inferred← citeshttps://doi.org/10.1142/s2251237322400032openalex-snapshot
Strategies for the Improvement of Hydrogen Physisorption in Metal-Organic Frameworks and Advantages of Flexibility for the Enhancement
inferred← citeshttps://doi.org/10.1201/b18039-10openalex-snapshot
Modeling of Zeolitic-Like Hybrid Materials for Gas Separation
inferred← citeshttps://doi.org/10.1201/b18039-8openalex-snapshot
Molecular Modeling of Gas Separation in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-tz5f8openalex-snapshot
Three-Dimensional Covalent Organic Frameworks with pts Topology for Controlled Anticancer Drug Delivery
inferred← citeshttps://doi.org/10.6023/a22010031openalex-snapshot
High-Throughput Computational Screening of Metal-Organic Frameworks for CH4/H2 Separation by Synergizing Machine Learning and Molecular Simulation
inferred← citeshttps://doi.org/10.9713/kcer.2013.51.2.171openalex-snapshot
CO2Adsorption in Metal-organic Frameworks
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.