Sofia
Calero Díaz
Publications (266) Sofia Calero Díaz publications View referenced research data.
2024
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A simulation study of linker vacancy distribution and its effect on UiO-66 stability
Microporous and Mesoporous Materials, Vol. 366
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Adapted thermodynamical model for the prediction of adsorption in nanoporous materials
Chemical Engineering Journal, Vol. 496
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Balancing the Co-Solvent Content in High Entropy Aqueous Electrolytes to Obtain 2.2 V Symmetric Supercapacitors
Advanced Functional Materials, Vol. 34, Núm. 45
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Computing solubility and thermodynamic properties of H2O2 in water
Journal of Molecular Liquids, Vol. 401
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Effect of water loading on the stability of pristine and defective UiO-66
Journal of Materials Chemistry A, Vol. 12, Núm. 37, pp. 25233-25243
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Equivariant Parameter Sharing for Porous Crystalline Materials
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
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Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminum-Substituted Zeolites
ACS Applied Materials and Interfaces
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Halogen-Decorated Metal-Organic Frameworks for Efficient and Selective CO2 Capture, Separation, and Chemical Fixation with Epoxides under Mild Conditions
ACS Applied Materials and Interfaces
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High Selectivity and Adsorption Capacity of Cation-Exchanged Zeolites for Biogas, Syngas, and Flue Gas Separation in a Pressure Swing Adsorption Unit
ACS Applied Energy Materials, Vol. 7, Núm. 15, pp. 6488-6498
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Hydrogen recovery from steam methane reforming using the ITQ-12 zeolite
Separation and Purification Technology, Vol. 350
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Improving the Water Resistance of Bi-Based Perovskite-Inspired Materials for Vapor-Phase Photocatalytic Overall Water Splitting
Solar RRL, Vol. 8, Núm. 14
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Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations
Journal of Physical Chemistry C, Vol. 128, Núm. 9, pp. 4111-4118
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Molecular recognition-induced structural flexibility in ZIF-71
Journal of Materials Chemistry A, Vol. 12, Núm. 42, pp. 28975-28984
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Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization
The journal of physical chemistry. B, Vol. 128, Núm. 39, pp. 9619-9629
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RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
Journal of Chemical Physics, Vol. 161, Núm. 11
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Temperature-Dependent Chirality in Halide Perovskites
Journal of Physical Chemistry Letters, Vol. 15, Núm. 31, pp. 8057-8064
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The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production
ACS Applied Materials and Interfaces, Vol. 16, Núm. 34, pp. 45006-45019
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The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation
Separation and Purification Technology, Vol. 339
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Understanding the role of open metal sites in MOFs for the efficient separation of benzene/cyclohexane mixtures
Separation and Purification Technology, Vol. 348
2023
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Adsorption of Carbon Dioxide in Non-Löwenstein Zeolites
Chemistry of Materials, Vol. 35, Núm. 13, pp. 5222-5231