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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Amino‐Functionalized ZIF‐7 Nanocrystals: Improved Intrinsic Separation Ability and Interfacial Compatibility in Mixed‐Matrix Membranes for CO 2 /CH 4 Separation
An Isoreticular Family of Microporous Metal–Organic Frameworks Based on Zinc and 2‐Substituted Imidazolate‐4‐amide‐5‐imidate: Syntheses, Structures and Properties
The Molecular Pathway to ZIF‐7 Microrods Revealed by In Situ Time‐Resolved Small‐ and Wide‐Angle X‐Ray Scattering, Quick‐Scanning Extended X‐Ray Absorption Spectroscopy, and DFT Calculations
Molecular simulations and deep neural networks‐based interpretable machine learning modelling of reverse adsorptive MOFs for ethane/ethylene separation
Rapid and Cost‐Effective Synthesis of Nanosized Zeolitic Imidazolate Framework‐7 with N , N ′‐Dimethylformamide as Solvent and Metal Acetate Salt as Metal Source
Enhanced permeability in mixed matrix membranes for CO2 capture through the structural regulation of the amino-functionalized Co/ZIF-8 heterometallic nanoparticles
Adsorption and separation of propane/propylene on various ZIF-8 polymorphs: Insights from GCMC simulations and the ideal adsorbed solution theory (IAST)
Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
Evaluation of ZIF-7 media for biogas upgrading into vehicular fuel quality standard by pressure swing adsorption through experiment and dynamic simulation under non-isothermal conditions
Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
Synthesis of Ag/ZIF-7 by immobilization of Ag nanoparticles onto ZIF-7 microcrystals: A heterogeneous catalyst for the reduction of nitroaromatic compounds and organic dyes
Rational Construction and Performance Regulation of an In(III)–Tetraisophthalate Framework for One-Step Adsorption-Phase Purification of C2H4 from C2 Hydrocarbons
Gate Opening Induced High Pore Volume Expansion in Flexible Zeolitic Imidazole Frameworks during CO 2 Adsorption: A Direct Observation Using Positron Annihilation Spectroscopy
Density Functional Theory Computational Study of Alkali Cation-Exchanged Sodalite-like Zeolitelike Metal–Organic Framework for CO2, N2, and CH4 Adsorption
Importance of ZIF-90 Lattice Flexibility on Diffusion, Permeation, and Lattice Structure for an adsorbed H2/CH4 Gas Mixture: A Re-Examination by Gibbs Ensemble Monte Carlo and Molecular Dynamics Simulations
Hybrid Zeolitic Imidazolate Frameworks: Controlling Framework Porosity and Functionality by Mixed-Linker Synthesis
showing the first 200 of 293
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