AdF
Análisis y simulación molecular de fluidos
Publicacions (222) Publicacions en què ha participat algun/a investigador/a
2024
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Comparative toxicological analysis of two pristine carbon nanomaterials (graphene oxide and aminated graphene oxide) and their corresponding degraded forms using human in vitro models
Toxicology, Vol. 504
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In silico study of therapeutic deep eutectic solvent for tetracaine liquid delivery
Journal of Molecular Liquids, Vol. 402
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Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles
Surfaces and Interfaces, Vol. 46
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Understanding the CO2 capture potential of tetrapropylammonium-based multifunctional deep eutectic solvent via molecular simulation
Journal of Molecular Liquids, Vol. 393
2023
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A comprehensive study on carbon capture potential of lactic acid based deep eutectic solvents at wide process conditions
Journal of Molecular Liquids, Vol. 390
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A review on the thermal conductivity of deep eutectic solvents
Journal of Thermal Analysis and Calorimetry, Vol. 148, Núm. 17, pp. 8765-8776
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A study on monoterpenoid-based natural deep eutectic solvents
Green Chemical Engineering, Vol. 4, Núm. 1, pp. 99-114
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A theoretical study of low concentration per- and polyfluoroalkyl substances (PFAS) remediation from wastewater by novel hydrophobic deep eutectic solvents (HDES) extraction agents
Journal of Molecular Liquids, Vol. 383
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Cineole – Decanoic acid hydrophobic natural Deep eutectic solvent for toluene absorption
Journal of Molecular Liquids, Vol. 384
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Exploiting monoterpenoids in type V deep eutectic solvents: A combined high-pressure experiments and theoretical approach for enhanced carbon dioxide and nitrogen absorption
Journal of Molecular Liquids, Vol. 391
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Exploring the thermophysical properties of natural deep eutectic solvents for gas capture applications: A comprehensive review
Green Chemical Engineering
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Graphene Formation through Spontaneous Exfoliation of Graphite by Chlorosulfonic Acid: A DFT Study
Micro, Vol. 3, Núm. 1, pp. 143-155
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High-pressure properties of type V Natural Deep Eutectic Solvents: The case of menthol: thymol
Journal of Molecular Liquids, Vol. 376
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Hydrogen storage in gas reservoirs: A molecular modeling and experimental investigation
International Journal of Hydrogen Energy, Vol. 48, Núm. 20, pp. 7419-7430
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Hydrophobic Deep eutectic Solvents based on cineole and organic acids
Journal of Molecular Liquids, Vol. 377
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Intercalative binding of two new five-coordinated anticancer Pt(II) complexes to DNA: experimental and computational approaches
Journal of Biomolecular Structure and Dynamics, Vol. 41, Núm. 18, pp. 8751-8761
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La historia de dos vidas que se convirtieron en una
Cuéntame y yo escribo tu historia: biografías de nuestro pasado reciente narradas por las futuras generaciones (Servicio de Publicaciones e Imagen Institucional), pp. 81-93
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Liquid formulations of local anesthetics through Deep Eutectics based on monoterpenoids
Journal of Molecular Liquids, Vol. 369
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Molecular dynamics study on the interfacial properties of mixtures of monomers of polyvinylpyrrolidone (PVP)-based battery binders on graphene and graphite surfaces
Journal of Chemical Physics, Vol. 159, Núm. 4
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Molecular simulations in upstream applications
Developments in Petroleum Science (Elsevier B.V.), pp. 277-311