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https://doi.org/10.2139/ssrn.4198821
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Rigid and Flexible: A Highly Porous Metal–Organic Framework with Unusual Guest‐Dependent Dynamic Behavior
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The Structure of the Aluminum Fumarate Metal–Organic Framework A520
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Docking of Cu I and Ag I in Metal–Organic Frameworks for Adsorption and Separation of Xenon
inferredcites →https://doi.org/10.1002/jcc.20495openalex-extracted
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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Multiwfn: A multifunctional wavefunction analyzer
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Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
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Effects of global orbital cutoff value and numerical basis set size on accuracies of theoretical atomization energies
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Adsorption equilibria of O2, Ar, Kr and Xe on activated carbon and zeolites: single component and mixture data
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Data Mining: Practical Machine Learning Tools and Techniques
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Large-scale computational screening of metal–organic frameworks for D2/H2 separation
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Fragment-based drug design and identification of HJC0123 , a novel orally bioavailable STAT3 inhibitor for cancer therapy
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Xenon adsorption in synthetic chabazite zeolites
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Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
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Atmospheric xenon radioactive isotope monitoring
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Pore Size Reduction by Methyl Function in Aluminum-Based Metal–Organic Frameworks for Xenon/Krypton Separation
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What Are the Best Materials To Separate a Xenon/Krypton Mixture?
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Computational Chemistry Methods for Nanoporous Materials
inferredcites →https://doi.org/10.1021/acs.jpcc.0c02280openalex-extracted
New Discovery of Metal–Organic Framework UTSA-280: Ultrahigh Adsorption Selectivity of Krypton over Xenon
inferredcites →https://doi.org/10.1021/acs.jpcc.9b06961openalex-extracted
Confinement-Directed Adsorption of Noble Gases (Xe/Kr) in MFM-300(M)-Based Metal–Organic Framework Materials
inferredcites →https://doi.org/10.1021/acsami.1c00152openalex-extracted
Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation
inferredcites →https://doi.org/10.1021/acsami.1c02257openalex-extracted
Multiscale Computational Screening of Metal–Organic Frameworks for Kr/Xe Adsorption Separation: A Structure–Property Relationship-Based Screening Strategy
inferredcites →https://doi.org/10.1021/acsami.7b14791openalex-extracted
Molecular Simulation Insights on Xe/Kr Separation in a Set of Nanoporous Crystalline Membranes
inferredcites →https://doi.org/10.1021/acsami.8b12746openalex-extracted
High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture
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XGBoost: An Optimal Machine Learning Model with Just Structural Features to Discover MOF Adsorbents of Xe/Kr
inferredcites →https://doi.org/10.1021/cm502594jopenalex-extracted
Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
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Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
inferredcites →https://doi.org/10.1021/jacs.5b02556openalex-extracted
Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework
inferredcites →https://doi.org/10.1021/jp050948lopenalex-extracted
Adsorption of Gases in Metal Organic Materials: Comparison of Simulations and Experiments
inferredcites →https://doi.org/10.1021/jp101687jopenalex-extracted
Mechanistic Insights into Xenon Inhibition of NMDA Receptors from MD Simulations
inferredcites →https://doi.org/10.1038/ncomms11831openalex-extracted
Metal–organic framework with optimally selective xenon adsorption and separation
inferredcites →https://doi.org/10.1038/s41467-018-07720-xopenalex-extracted
Materials genomics methods for high-throughput construction of COFs and targeted synthesis
inferredcites →https://doi.org/10.1038/s41598-021-04168-wopenalex-extracted
Modeling of CO2 adsorption capacity by porous metal organic frameworks using advanced decision tree-based models
inferredcites →https://doi.org/10.1039/b802426jopenalex-extracted
Selective gas adsorption and separation in metal–organic frameworks
inferredcites →https://doi.org/10.1039/c2sc01097fopenalex-extracted
Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks
inferredcites →https://doi.org/10.1039/c3cc47777kopenalex-extracted
Enhanced noble gas adsorption in Ag@MOF-74Ni
inferredcites →https://doi.org/10.1039/c3nr04161aopenalex-extracted
The effect of pressure on the post-synthetic modification of a nanoporous metal–organic framework
inferredcites →https://doi.org/10.1039/c4ee03515aopenalex-extracted
The materials genome in action: identifying the performance limits for methane storage
inferredcites →https://doi.org/10.1039/c6ee02104bopenalex-extracted
Evaluating topologically diverse metal–organic frameworks for cryo-adsorbed hydrogen storage
inferredcites →https://doi.org/10.1039/c7ta11321hopenalex-extracted
A microporous metal–organic framework with commensurate adsorption and highly selective separation of xenon
inferredcites →https://doi.org/10.1039/c8dt04688copenalex-extracted
Robust synthesis routes and porosity of the Al-based metal–organic frameworks Al-fumarate, CAU-10-H and MIL-160
inferredcites →https://doi.org/10.1039/c8ta02091dopenalex-extracted
Metal–organic framework derived nanoporous carbons with highly selective adsorption and separation of xenon
inferredcites →https://doi.org/10.1039/c9ta01752fopenalex-extracted
Large-scale computational assembly of ionic liquid/MOF composites: synergistic effect in the wire-tube conformation for efficient CO 2 /CH 4 separation
inferredcites →https://doi.org/10.1039/d0ra02212hopenalex-extracted
Switching Xe/Kr adsorption selectivity in modified SBMOF-1: a theoretical study
inferredcites →https://doi.org/10.1063/1.3382344openalex-extracted
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.458452openalex-extracted
An all-electron numerical method for solving the local density functional for polyatomic molecules
inferredcites →https://doi.org/10.1063/1.460208openalex-extracted
Analytic energy derivatives in the numerical local-density-functional approach
inferredcites →https://doi.org/10.1063/1.474778openalex-extracted
Competitive adsorption of xenon and krypton in zeolite NaA: 129Xe nuclear magnetic resonance studies and grand canonical Monte Carlo simulations
inferredcites →https://doi.org/10.1063/1.478401openalex-extracted
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
inferredcites →https://doi.org/10.1080/08927022.2013.842994openalex-extracted
An online parameter and property database for the TraPPE force field
inferredcites →https://doi.org/10.1080/08927022.2015.1010082openalex-extracted
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
inferredcites →https://doi.org/10.1080/18811248.1999.9726272openalex-extracted
Adsorption Equilibria of Krypton, Xenon, Nitrogen and Their Mixtures on Molecular Sieve 5A and Activated Charcoal
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-extracted
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physreva.47.2672openalex-extracted
Finite-element multiconfiguration Hartree-Fock calculations of the atomic quadrupole moments of excited states of Be, Al, In, Ne, Ar, Kr, and Xe
inferredcites →https://doi.org/10.1126/science.7434002openalex-extracted
Anesthetics as tEratogens: Nitrous Oxide Is Fetotoxic, Xenon Is Not
inferredcites →https://doi.org/10.1134/s1070363215040039openalex-extracted
Quantum chemical study of structure of ionic complexes of I and II groups metals with xenon or krypton
inferredcites →https://doi.org/10.1136/bjo.63.10.657openalex-extracted
A comparative histopathological study of argon and krypton laser irradiations of the human retina.
inferredcites →https://doi.org/10.1142/s1088424615500820openalex-extracted
A series of thermal stable lanthanide porphyrins with a condensed three-dimensional porous open framework: Gas adsorption and magnetic properties
inferredcites →https://doi.org/10.1155/2013/702496openalex-extracted
Radioactive Iodine and Krypton Control for Nuclear Fuel Reprocessing Facilities
inferredcites →https://doi.org/10.1351/pac198557040603openalex-extracted
Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)
inferredcites →https://doi.org/10.48550/arxiv.1603.02754openalex-snapshot
XGBoost: A Scalable Tree Boosting System
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