46 results on '"Yang, Qingyuan"'
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2. MOF-GRU: A MOFid-Aided Deep Learning Model for Predicting the Gas Separation Performance of Metal–Organic Frameworks
3. Non-heme Iron Single-Atom Nanozymes as Peroxidase Mimics for Tumor Catalytic Therapy
4. Efficient Capture of Th(IV) and U(VI) by Radiation-Resistant Oxygen-Rich Ion Traps Based on a Metal–Organic Framework
5. A Self-Evolutionary Methodology for Reverse Design of Novel MOFs
6. High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes
7. PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)–Porphyrin-Based Metal–Organic Framework
8. A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N2 Mixtures
9. Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution
10. Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture
11. Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning
12. Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening
13. Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations
14. Calcium-Based Metal–Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations
15. Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal–Organic Framework to Remove the Toxic Bromine Ions
16. Large-Scale Structural Refinement and Screening of Zirconium Metal–Organic Frameworks for H2S/CH4 Separation
17. High-Efficiency Separation of Aromatic Sulfide from Liquid Hydrocarbon Fuel in Conjugated Porous Organic Framework with Polycarbazole Unit
18. Computational Insights on the Role of Nanochannel Environment in the CO2/CH4 and H2/CH4 Separation Using Restacked Covalent Organic Framework Membranes
19. Microporous Metal–Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture
20. High-Flux Graphene Oxide Membranes Intercalated by Metal–Organic Framework with Highly Selective Separation of Aqueous Organic Solution
21. Graphene-like Poly(triazine imide) as N2-Selective Ultrathin Membrane for Postcombustion CO2Capture
22. Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification
23. Ionic Liquid/Metal–Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration
24. Highly Selective Adsorption and Separation of Aniline/Phenol from Aqueous Solutions by Microporous MIL-53(Al): A Combined Experimental and Computational Study
25. Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow
26. Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
27. Helium Recovery by a Cu-BTC Metal–Organic-Framework Membrane
28. Revealing the Structure–Property Relationships of Metal–Organic Frameworks for CO2 Capture from Flue Gas
29. Quantum Sieving in Metal–Organic Frameworks: A Computational Study
30. Influence of the Organic Ligand Functionalization on the Breathing of the Porous Iron Terephthalate Metal Organic Framework Type Material upon Hydrocarbon Adsorption
31. Understanding the Thermodynamic and Kinetic Behavior of the CO2/CH4 Gas Mixture within the Porous Zirconium Terephthalate UiO-66(Zr): A Joint Experimental and Modeling Approach
32. Enhancement of CO2/N2 Mixture Separation Using the Thermodynamic Stepped Behavior of Adsorption in Metal−Organic Frameworks
33. Comparative Study of Separation Performance of COFs and MOFs for CH4/CO2/H2 Mixtures
34. Studies of Capillary Phase Transitions of Methane in Metal−Organic Frameworks by Gauge Cell Monte Carlo Simulation
35. Computational Study on the Influences of Framework Charges on CO2 Uptake in Metal−Organic Frameworks
36. Understanding the Adsorption and Diffusion of Carbon Dioxide in Zeolitic Imidazolate Frameworks: A Molecular Simulation Study
37. Molecular Simulation Study of the Stepped Behaviors of Gas Adsorption in Two-Dimensional Covalent Organic Frameworks
38. Enhanced Adsorption Selectivity of Hydrogen/Methane Mixtures in Metal−Organic Frameworks with Interpenetration: A Molecular Simulation Study
39. Promoting the Formation and Stabilization of G-Quadruplex by Dinuclear RuII Complex Ru2(obip)L4
40. Computational Study of CO2 Storage in Metal−Organic Frameworks
41. Molecular Simulation Study of Separation of CO2from Alkanes Using Metal−Organic Frameworks
42. Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal−Organic Frameworks
43. Understanding Hydrogen Adsorption in Metal−Organic Frameworks with Open Metal Sites: A Computational Study
44. Molecular Simulation of Adsorption and Diffusion of Hydrogen in Metal−Organic Frameworks
45. A Group Contribution Model for the Prediction of the Thermal Conductivity of Polymer Melts
46. New Model for the Prediction of the Pressure Dependence of Thermal Conductivity of Polymer Melts
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