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Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Molecular simulation of adsorption: Gibbs dividing surface and comparison with experiment
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Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
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A Metal–Organic Framework with Optimized Open Metal Sites and Pore Spaces for High Methane Storage at Room Temperature
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High pressure adsorption of hydrogen, nitrogen, carbon dioxide and methane on the metal–organic framework HKUST-1
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Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
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Adsorption of CO, CO2 and CH4 on Cu-BTC and MIL-101 metal organic frameworks: Effect of open metal sites and adsorbate polarity
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The use of nitrogen adsorption for the characterisation of porous materials
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Gate Opening, Diffusion, and Adsorption of CO2 and N2 Mixtures in ZIF-8
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In(SAr)3 As a Building Block for 3D and Helical Coordination Polymers
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Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation
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Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
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Molecular theory of gases and liquids
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In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials
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The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials
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Porous metal–organic-framework nanoscale carriers as a potential platform for drug delivery and imaging
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Cation-directed syntheses of novel zeolite-like metalloaluminophosphates STA-6 and STA-7 in the presence of azamacrocycle templates
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Selective gas adsorption and separation in metal–organic frameworks
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The pervasive chemistry of metal–organic frameworks
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A NbO-type metal–organic framework derived from a polyyne-coupled di-isophthalate linker formed in situ
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A highly porous flexible Metal–Organic Framework with corundum topology
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Low-energy regeneration and high productivity in a lanthanide–hexacarboxylate framework for high-pressure CO2–CH4–H2 separation
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Gram-scale, high-yield synthesis of a robust metal–organic framework for storing methane and other gases
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Evaluating metal–organic frameworks for natural gas storage
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Porosity in metal–organic framework glasses
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Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
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Computational structure characterisation tools in application to ordered and disordered porous materials
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RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
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Percolation and cluster distribution. I. Cluster multiple labeling technique and critical concentration algorithm
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Network Approach to Void Percolation in a Pack of Unequal Spheres
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Single-crystal structure validation with the program PLATON
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The Cambridge Structural Database
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The Chemistry and Applications of Metal-Organic Frameworks
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Accelerating analysis of void space in porous materials on multicore and GPU platforms
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Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report)
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A Database of Porous Rigid Amorphous Materials
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Materials Informatics with PoreBlazer v4.0 and the CSD MOF Database
inferred← citeshttps://doi.org/10.1021/acs.chemmater.3c01021openalex-snapshot
Insight into the Isoreticularity of Li-MOFs for the Design of Low-Density Solid and Quasi-Solid Electrolytes
inferred← citeshttps://doi.org/10.1021/acs.chemmater.3c01031openalex-snapshot
Enhancing Gas Separation Selectivity Prediction through Geometrical and Chemical Descriptors
inferred← citeshttps://doi.org/10.1021/acs.chemmater.4c01822openalex-snapshot
Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
inferred← citeshttps://doi.org/10.1021/acs.chemmater.6c00108openalex-snapshot
Solid Guests in Metal–Organic Frameworks: Capacity Limits and Structural Effects on Loading Kinetics
inferred← citeshttps://doi.org/10.1021/acs.chemmater.8b01425openalex-snapshot
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00004openalex-snapshot
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00155openalex-snapshot
Fluids and Electrolytes under Confinement in Single-Digit Nanopores
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.3c04075openalex-snapshot
Multi-Binding Sites United in Covalent-Organic Frameworks (MSUCOF) for H 2 Storage and Delivery at Room Temperature
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.9b02643openalex-snapshot
Influence of Pore Structure on Shale Gas Recovery with CO2 Sequestration: Insight Into Molecular Mechanisms
inferred← citeshttps://doi.org/10.1021/acs.est.4c02015openalex-snapshot
Sorption of Soil Carbon Dioxide by Biochar and Engineered Porous Carbons
inferred← citeshttps://doi.org/10.1021/acs.iecr.1c03296openalex-snapshot
Controlled Demolition and Reconstruction of Imidazolate and Carboxylate Metal–Organic Frameworks by Acid Gas Exposure and Linker Treatment
inferred← citeshttps://doi.org/10.1021/acs.iecr.3c01358openalex-snapshot
A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c00855openalex-snapshot
Combining Interpretable Machine Learning and Molecular Simulation to Advance the Discovery of COF-Based Membranes for Acid Gas Separation
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c01222openalex-snapshot
Simulation and Machine Learning-Integrated Investigation of Double-Linker MOFs for the Separation of CF4 from CH4 and N2
inferred← citeshttps://doi.org/10.1021/acs.iecr.4c02357openalex-snapshot
Machine Learning-Assisted High-Throughput Screening of Metal–Organic Frameworks for CO2 Separation from CO2-Rich Natural Gas
inferred← citeshttps://doi.org/10.1021/acs.iecr.8b04084openalex-snapshot
Biocompatible MOFs for Storage and Separation of O 2 : A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.iecr.9b06950openalex-snapshot
Use, Preparation, and Characterization of Copper-Containing Silica Gel
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c00427openalex-snapshot
Leveraging Nitrogen Linkages in the Formation of a Porous Thorium–Organic Nanotube Suitable for Iodine Capture
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c02337openalex-snapshot
Atomic-Scale Elucidation of Unusually Distorted Dimeric Complexes Confined in a Zr-Based Metal–Organic Framework
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5c00353openalex-snapshot
Microporous Eu-MOF with Short 1,2,5-Thiadiazole-3,4-dicarboxylate Linkers: Luminescence Sensing of Nitrofuran Antibiotics and Gas Adsorption Performance
inferred← citeshttps://doi.org/10.1021/acs.jced.1c00322openalex-snapshot
Identical Composition and Distinct Performance: How ZIF-8 Polymorphs’ Structures Affect the Adsorption/Separation of Ethane and Ethene
inferred← citeshttps://doi.org/10.1021/acs.jced.1c00958openalex-snapshot
Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jced.4c00244openalex-snapshot
Machine Learning Assisted Discovery of Efficient MOFs for One-Step C2H4 Purification from Ternary C2H2/C2H4/C2H6 Mixtures
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00673openalex-snapshot
Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01678openalex-snapshot
Metal–Organic Framework Membrane Constructor: A Tool for High-Throughput Construction of Metal–Organic Framework Membrane Models
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01918openalex-snapshot
pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00388openalex-snapshot
Per-MOF Mechanistic Attribution Reveals Context-Dependent Stability Mechanisms in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00608openalex-snapshot
Text Mining Metal–Organic Framework Papers
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00669openalex-snapshot
Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00586openalex-snapshot
Applicability of Tail Corrections in the Molecular Simulations of Porous Materials
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00940openalex-snapshot
Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b03290openalex-snapshot
A Robust Machine Learning Algorithm for the Prediction of Methane Adsorption in Nanoporous Materials
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c00834openalex-snapshot
Revisiting MMPBSA by Adoption of MC-Based Surface Area/Volume, ANI-ML Potentials, and Two-Valued Interior Dielectric Constant
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c09362openalex-snapshot
Surface Area and Porosity of Co3(ndc)3(dabco) Metal–Organic Framework and Its Methane Storage Capacity: A Combined Experimental and Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c10106openalex-snapshot
Gas Adsorption Enhancement in Partially Amorphized Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c11082openalex-snapshot
Improving Computational Assessment of Porous Materials for Water Adsorption Applications via Flat Histogram Methods
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c02767openalex-snapshot
Effect of Phase Transition on the Thermal Transport in Isoreticular DUT Materials
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c00227openalex-snapshot
Multi-Level Computational Screening of in Silico Designed MOFs for Efficient SO2 Capture
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c02237openalex-snapshot
Computational Predictions for Effective Separation of Xenon/Krypton Gas Mixtures in the MFM Family of Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c04620openalex-snapshot
Calculation and Measurement of Salt Loading in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c03225openalex-snapshot
In Situ Neutron Diffraction of Zn-MOF-74 Reveals Nanoconfinement-Induced Effects on Adsorbed Propene
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c05868openalex-snapshot
In Silico Screening of Metal–organic Frameworks for Water Harvesting
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c06209openalex-snapshot
Lithium-Ion Doping for Enhanced Hydrogen Sulfide Adsorption on Metal–Organic Frameworks: Grand Canonical Monte Carlo and Density Functional Theory Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c06617openalex-snapshot
Oxidative Ring-Opening of Dimethylfuran in Zeolitic Imidazolate Frameworks through Computational Design
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b04021openalex-snapshot
Critical Factors in Computational Characterization of Hydrogen Storage in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b04742openalex-snapshot
Computation-Ready, Experimental Covalent Organic Framework for Methane Delivery: Screening and Material Design
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b04872openalex-snapshot
Understanding the Separation Mechanism of C2H6/C2H4 on Zeolitic Imidazolate Framework ZIF-7 by Periodic DFT Investigations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b10766openalex-snapshot
A Generic Machine Learning Algorithm for the Prediction of Gas Adsorption in Nanoporous Materials
inferred← citeshttps://doi.org/10.1021/acs.jpclett.9b02449openalex-snapshot
Simulating Enhanced Methane Deliverable Capacity of Guest Responsive Pores in Intrinsically Flexible MOFs
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c01684openalex-snapshot
Stability Assessment in Aqueous and Organic Solvents of Metal–Organic Framework PCN 333 Nanoparticles through a Combination of Physicochemical Characterization and Computational Simulations
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c04369openalex-snapshot
A Master Isotherm Model Approach to Quantify Defects in UiO-66 from Nitrogen Adsorption Isotherms
inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c03373openalex-snapshot
Effects of Pore Connectivity on Water Adsorption in Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acs.langmuir.6c03585openalex-snapshot
Defect Engineering in the Porous Salt CAU-55: The Relationship between Cluster Defects and Sorption Properties
inferred← citeshttps://doi.org/10.1021/acs.langmuir.8b04175openalex-snapshot
Computational Analysis of Linker Defective Metal–Organic Frameworks for Membrane Separation Applications
inferred← citeshttps://doi.org/10.1021/acs.langmuir.9b03618openalex-snapshot
In Silico Investigation into H2 Uptake in MOFs: Combined Text/Data Mining and Structural Calculations
inferred← citeshttps://doi.org/10.1021/acs.macromol.4c01893openalex-snapshot
Molecular Mechanism of Mechanical Breathing in Organic Mixed Ionic-Electronic Conductors
inferred← citeshttps://doi.org/10.1021/acsaem.6c00282openalex-snapshot
Elucidating Transport Mechanisms of a Lithium Salt in the MOF UiO-66
inferred← citeshttps://doi.org/10.1021/acsami.0c01659openalex-snapshot
In Silico Discovery of Covalent Organic Frameworks for Carbon Capture
inferred← citeshttps://doi.org/10.1021/acsami.1c16220openalex-snapshot
Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening
inferred← citeshttps://doi.org/10.1021/acsami.1c20583openalex-snapshot
Incorporating Flexibility Effects into Metal–Organic Framework Adsorption Simulations Using Different Models
inferred← citeshttps://doi.org/10.1021/acsami.2c05127openalex-snapshot
Combining Theory and Experiments To Study the Influence of Gas Sorption on the Conductivity Properties of Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acsami.2c10861openalex-snapshot
Mapping the Porous and Chemical Structure–Function Relationships of Trace CH3I Capture by Metal–Organic Frameworks using Machine Learning
inferred← citeshttps://doi.org/10.1021/acsami.2c17109openalex-snapshot
Multi-Scale Computer-Aided Design of Covalent Organic Frameworks for CO 2 Capture in Wet Flue Gas
inferred← citeshttps://doi.org/10.1021/acsami.2c18221openalex-snapshot
Highly Effective H2/D2 Separation within the Stable Cu(I)Cu(II)-BTC: The Effect of Cu(I) Structure on Quantum Sieving
inferred← citeshttps://doi.org/10.1021/acsami.4c05527openalex-snapshot
Adsorption in Pyrene-Based Metal–Organic Frameworks: The Role of Pore Structure and Topology
inferred← citeshttps://doi.org/10.1021/acsami.4c06416openalex-snapshot
Artificial Intelligence and High-Throughput Computational Workflows Empowering the Fast Screening of Metal–Organic Frameworks for Hydrogen Storage
inferred← citeshttps://doi.org/10.1021/acsami.4c11953openalex-snapshot
Computational Exploration of Adsorption-Based Hydrogen Storage in Mg-Alkoxide Functionalized Covalent-Organic Frameworks (COFs): Force-Field and Machine Learning Models
inferred← citeshttps://doi.org/10.1021/acsami.4c19321openalex-snapshot
Computational Screening Guiding the Development of a Covalent-Organic Framework-Based Gas Sensor for Early Detection of Lithium-Ion Battery Electrolyte Leakage
inferred← citeshttps://doi.org/10.1021/acsami.9b02357openalex-snapshot
Simultaneous Improvement of Mechanical and Fire-Safety Properties of Polymer Composites with Phosphonate-Loaded MOF Additives
inferred← citeshttps://doi.org/10.1021/acsanm.3c05793openalex-snapshot
Wearable Self-Powered Pressure-Sensing Device Based on a Combination of Carbon Nanotubes/Porous Poly(dimethylsiloxane) and Poly(ethylene oxide)
inferred← citeshttps://doi.org/10.1021/acscentsci.2c01177openalex-snapshot
An Ecosystem for Digital Reticular Chemistry
inferred← citeshttps://doi.org/10.1021/acscentsci.9b00619openalex-snapshot
Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/acsmaterialsau.6c00063openalex-snapshot
Gas Sorption Measurements in MOFs─A Tutorial for Beginners
inferred← citeshttps://doi.org/10.1021/acsmaterialslett.6c00710openalex-snapshot
Creating Mesopores in Two-Dimensional Conductive Metal–Organic Frameworks for Enhanced Electrochemical Capacitive Performance
inferred← citeshttps://doi.org/10.1021/acsmaterialslett.9b00468openalex-snapshot
Metal Organic Frameworks for Xenon Storage Applications
inferred← citeshttps://doi.org/10.1021/acsomega.0c01267openalex-snapshot
Augmenting the Carbon Dioxide Uptake and Selectivity of Metal–Organic Frameworks by Metal Substitution: Molecular Simulations of LMOF-202
inferred← citeshttps://doi.org/10.1021/acssuschemeng.1c06315openalex-snapshot
Adsorption of Linear Alcohols in Amorphous Activated Carbons: Implications for Energy Storage Applications
inferred← citeshttps://doi.org/10.1021/acssuschemeng.8b03765openalex-snapshot
Water-Based Synthesis and Enhanced CO 2 Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology
inferred← citeshttps://doi.org/10.1021/jacs.0c01895openalex-snapshot
Advancement of Actinide Metal–Organic Framework Chemistry via Synthesis of Pu-UiO-66
inferred← citeshttps://doi.org/10.1021/jacs.0c05286openalex-snapshot
Highly Active Gas Phase Organometallic Catalysis Supported Within Metal–Organic Framework Pores
inferred← citeshttps://doi.org/10.1021/jacs.0c07956openalex-snapshot
Feeding a Molecular Squid: A Pliable Nanocarbon Receptor for Electron-Poor Aromatics
inferred← citeshttps://doi.org/10.1021/jacs.0c10400openalex-snapshot
Structural Diversity of Zirconium Metal–Organic Frameworks and Effect on Adsorption of Toxic Chemicals
inferred← citeshttps://doi.org/10.1021/jacs.4c01226openalex-snapshot
Mild-Temperature Supercritical Water Confined in Hydrophobic Metal–Organic Frameworks
inferred← citeshttps://doi.org/10.1021/jacs.5c10686openalex-snapshot
Water Adsorption in Metal–Organic Frameworks: Characteristics, Mechanisms, and Structure–Property Relationships
inferred← citeshttps://doi.org/10.1038/s41467-020-14828-6openalex-snapshot
Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation
inferred← citeshttps://doi.org/10.1038/s41467-020-17755-8openalex-snapshot
Understanding the diversity of the metal-organic framework ecosystem
inferred← citeshttps://doi.org/10.1038/s41467-024-46276-xopenalex-snapshot
A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks
inferred← citeshttps://doi.org/10.1038/s41467-024-49865-yopenalex-snapshot
Facile fabrication of recyclable robust noncovalent porous crystals from low-symmetry helicene derivative
inferred← citeshttps://doi.org/10.1038/s41467-025-56296-wopenalex-snapshot
Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks
inferred← citeshttps://doi.org/10.1038/s41467-026-69614-7openalex-snapshot
Single-crystal 2D covalent organic frameworks for high-capacity methane storage
inferred← citeshttps://doi.org/10.1038/s41598-022-07118-2openalex-snapshot
Evolution of pore characteristics and methane adsorption characteristics of Nanshan 1/3 coking coal under different stresses
inferred← citeshttps://doi.org/10.1038/s42004-024-01166-7openalex-snapshot
Machine learning insights into predicting biogas separation in metal-organic frameworks
inferred← citeshttps://doi.org/10.1038/s44221-025-00419-6openalex-snapshot
Sustainable polyester thin films for membrane desalination developed through interfacial catalytic polymerization
inferred← citeshttps://doi.org/10.1039/c8me00050fopenalex-snapshot
Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks
inferred← citeshttps://doi.org/10.1039/c8nj05246hopenalex-snapshot
Encapsulation of collagenase within biomimetically mineralized metal–organic frameworks: designing biocomposites to prevent collagen degradation
inferred← citeshttps://doi.org/10.1039/c9me00095jopenalex-snapshot
Computational screening of metal–organic frameworks for biogas purification
inferred← citeshttps://doi.org/10.1039/c9ta01752fopenalex-snapshot
Large-scale computational assembly of ionic liquid/MOF composites: synergistic effect in the wire-tube conformation for efficient CO 2 /CH 4 separation
inferred← citeshttps://doi.org/10.1039/c9ta11909dopenalex-snapshot
Machine-learning-assisted screening of pure-silica zeolites for effective removal of linear siloxanes and derivatives
inferred← citeshttps://doi.org/10.1039/d0me00122hopenalex-snapshot
Design principles for the ultimate gas deliverable capacity material: nonporous to porous deformations without volume change
inferred← citeshttps://doi.org/10.1039/d0sc00049copenalex-snapshot
Geometric landscapes for material discovery within energy–structure–function maps
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