Publications by the researcher in collaboration with TRINIDAD MENDEZ MORALES (36)

2024

  1. On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study

    Journal of Molecular Liquids, Vol. 405

  2. Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 1, pp. 164-177

  3. Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study

    Macromolecules, Vol. 57, Núm. 9, pp. 3921-3936

2023

  1. Effect of Isomeric Alcohols on the Thermophysical Properties of Cyano-Based Ionic Liquids: Experimental and Simulation Studies

    Journal of Chemical and Engineering Data, Vol. 68, Núm. 8, pp. 1940-1952

  2. Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study

    Journal of Molecular Liquids, Vol. 386

  3. Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach

    Journal of Molecular Liquids, Vol. 392

  4. Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis

    Journal of Molecular Liquids, Vol. 385

2022

  1. On the physical properties of mixtures of nitrate salts and protic ionic liquids

    Journal of Molecular Liquids, Vol. 350

  2. Quantitative and structural analysis of water association in water-lithium bromide-1,3-dimethylimidazolium chloride mixtures

    Journal of Molecular Liquids, Vol. 368

  3. Role of Anions in 5-Hydroxymethylfurfural Solvation in Ionic Liquids from Molecular Dynamics Simulations

    Advanced Theory and Simulations, Vol. 5, Núm. 12

2020

  1. Ionic liquids nanoconfined in zeolite-templated carbon: A computational study

    Journal of Molecular Liquids, Vol. 318

  2. The interaction of ammonia with the protic ionic liquid ethylammonium nitrate: A simulation study

    Journal of Molecular Liquids, Vol. 320

2018

  1. The effect of alkyl chain length on the structure and thermodynamics of protic-aprotic ionic liquid mixtures: A molecular dynamics study

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 15, pp. 9938-9949

2017

  1. Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 1, pp. 846-853

  2. Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols

    Journal of Chemical Physics, Vol. 146, Núm. 12

  3. Two-dimensional pattern formation in ionic liquids confined between graphene walls

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 36, pp. 24505-24512

2016

  1. Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts

    Journal of Chemical Physics, Vol. 145, Núm. 20

  2. Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures

    Journal of Physics Condensed Matter, Vol. 28, Núm. 46

  3. Molecular dynamics simulations of mixtures of protic and aprotic ionic liquids

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 34, pp. 23932-23943

  4. Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1302-1310