Publicacións nas que colabora con Martín Pérez Rodríguez (34)

2024

  1. Molecular Simulation of SO2 Separation and Storage Using a Cryptophane-Based Porous Liquid

    International Journal of Molecular Sciences, Vol. 25, Núm. 5

  2. Upper storage-capacity limit and multiple occupancy phenomena in H2-hydroquinone clathrates using Monte Carlo and DFT simulations

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6939-6948

2023

  1. CO2 hydrates phase behaviour and onset nucleation temperatures in mixtures of H2O and D2O: Isotopic effects

    Journal of Molecular Liquids, Vol. 391

  2. Diffusion and dynamics of noble gases in hydroquinone clathrate channels

    Journal of Chemical Physics, Vol. 158, Núm. 4

  3. Influence of Lennard–Jones Parameters in the Temperature Dependence of Real Gases Diffusion through Nanochannels

    Nanomaterials, Vol. 13, Núm. 9

  4. Molecular Simulation of CO2 and H2 Encapsulation in a Nanoscale Porous Liquid

    Nanomaterials, Vol. 13, Núm. 3

2022

  1. Evaluation of hydrogen storage ability of hydroquinone clathrates using molecular simulations

    Journal of Molecular Liquids, Vol. 360

  2. Ionogels Derived from Fluorinated Ionic Liquids to Enhance Aqueous Drug Solubility for Local Drug Administration

    Gels, Vol. 8, Núm. 9

  3. Molecular simulation of methane hydrate growth confined into a silica pore

    Journal of Molecular Liquids, Vol. 362

2021

  1. Extremely Slow Diffusion of Argon Atoms in Clathrate Cages: Implications for Gas Storage in Solid Materials

    ACS Sustainable Chemistry and Engineering, Vol. 9, Núm. 22, pp. 7479-7488

  2. Molecular dynamics of fluoromethane type I hydrates

    Journal of Molecular Liquids, Vol. 339

2020

  1. Computational simulation of fluorinated methane derivatives in type I clathrate hydrate

    Journal of Molecular Liquids, Vol. 314

2019

  1. Insights into the Crystal Structure and Clathration Selectivity of Organic Clathrates Formed with Hydroquinone and (CO2 + CH4) Gas Mixtures

    Journal of Physical Chemistry C, Vol. 123, Núm. 23, pp. 14582-14590

  2. Three-phase equilibrium curve shift for methane hydrate in oceanic conditions calculated from Molecular Dynamics simulations

    Journal of Molecular Liquids, Vol. 274, pp. 426-433

2018

  1. A description of hydroquinone clathrates using molecular dynamics: Molecular model and crystalline structures for CH4 and CO2 guests

    Journal of Chemical Physics, Vol. 148, Núm. 24

  2. Simulation of Capture and Release Processes of Hydrogen by β-Hydroquinone Clathrate

    ACS Omega, Vol. 3, Núm. 12, pp. 18771-18782

  3. Tailoring nanofluid thermophysical profile through graphene nanoplatelets surface functionalization

    ACS Omega, Vol. 3, Núm. 1, pp. 744-752

2017

  1. Computational study of the hydrolysis of carbonyl sulphide: Thermodynamics and kinetic constants estimation using ab initio calculations

    Journal of Chemical Thermodynamics, Vol. 110, pp. 154-161

  2. Computational study of the interplay between intermolecular interactions and CO2 orientations in type i hydrates

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 4, pp. 3384-3393

  3. Tuning the electrical conductivity of exfoliated graphite nanosheets nanofluids by surface functionalization

    Soft Matter, Vol. 13, Núm. 18, pp. 3395-3403