GA
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Vapor-liquid-liquid equilibria for the water + 1-butanol + CPME mixture
FLUID PHASE EQUILIBRIA 2025 ARTÍCULO WOS - SCOPUS AUTOR
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Combining molecular modelling approaches for a holistic thermophysical characterisation of fluorinated refrigerant blends
INTERNATIONAL JOURNAL OF REFRIGERATION 2025 ARTÍCULO WOS - SCOPUS AUTOR
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The Importance of Solvent Adsorption in Liquid-Phase Reaction Kinetics: Nitrobenzene Hydrogenation in Pd (111) as a Case Study
CHEMPHYSCHEM 2025 ARTÍCULO WOS - SCOPUS AUTOR
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Three phase equilibria and interfacial properties of water + dimethyl carbonate + 1-butanol ternary mixture
JOURNAL OF MOLECULAR LIQUIDS 2025 ARTÍCULO WOS - SCOPUS AUTOR
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Density and viscosity of liquid mixtures formed by n-hexane, ethanol, and cyclopentyl methyl ether
JOURNAL OF MOLECULAR LIQUIDS 2022 ARTÍCULO WOS - SCOPUS AUTOR
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Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion
JOURNAL OF CO2 UTILIZATION 2021 ARTÍCULO WOS - SCOPUS AUTOR
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Interfacial behavior of binary, ternary and quaternary oil/water mixtures described from molecular dynamics simulations
JOURNAL OF MOLECULAR LIQUIDS 2021 ARTÍCULO WOS - SCOPUS AUTOR
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Assessing salt-surfactant synergistic effects on interfacial tension from molecular dynamics simulations
JOURNAL OF MOLECULAR LIQUIDS 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Probing the Interfacial Behavior of Type IIIa Binary Mixtures Along the Three-Phase Line Employing Molecular Thermodynamics
MOLECULES 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2–SO2 separation using phosphonium-based ionic liquids
JOURNAL OF MOLECULAR LIQUIDS 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study
MICROPOROUS AND MESOPOROUS MATERIALS 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Effect of nanoparticles in molten salts - MD simulations and experimental study
RENEWABLE ENERGY 2020 ARTÍCULO WOS - SCOPUS AUTOR
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Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO2 Capture Swing Adsorption Processes
JOURNAL OF PHYSICAL CHEMISTRY C 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
JOURNAL OF CO2 UTILIZATION 2017 ARTÍCULO WOS - SCOPUS AUTOR
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First-principles study of structural, elastic and electronic properties of alpha-, beta- and gamma-graphyne
CARBON 2016 ARTÍCULO WOS - SCOPUS AUTOR