Publications (98)

¹ Publicaciones consideradas como producción del grupo

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2025

  1. Dissociation Line and Driving Force for Nucleation of the Multiple Occupied Hydrogen Hydrate from Computer Simulation

    Energy and Fuels, Vol. 39, Núm. 31, pp. 15184-15197

  2. Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations

    Journal of Chemical Physics, Vol. 162, Núm. 13

  3. Monitoring Hydroquinone Clathrates in Molecular Simulation Using Local Bond Order Parameters

    Energy and Fuels, Vol. 39, Núm. 21, pp. 9884-9892

  4. On the interfacial properties of hydroquinone: Realistic and coarse-grained molecular models from computer simulation

    Journal of Molecular Liquids, Vol. 428

  5. Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances

    Chemical Reviews, Vol. 125, Núm. 10, pp. 5003-5053

  6. Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation

    Journal of Molecular Liquids, Vol. 426

  7. Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl

    Energy and Fuels, Vol. 39, Núm. 11, pp. 5522-5533

  8. Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl

    Energy and Fuels

2024

  1. Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy

    Journal of Chemical Physics, Vol. 161, Núm. 5

  2. Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation

    Journal of Chemical Physics, Vol. 160, Núm. 16

  3. Rotationally invariant local bond order parameters for accurate determination of hydrate structures

    Molecular Physics, Vol. 122, Núm. 21-22

  4. Simulation of the THF hydrate-water interfacial free energy from computer simulation

    Journal of Chemical Physics, Vol. 161, Núm. 6

  5. Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate

    The Journal of chemical physics, Vol. 160, Núm. 16

  6. Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate

    The Journal of chemical physics, Vol. 160, Núm. 16

  7. Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates

    The Journal of chemical physics, Vol. 160, Núm. 16

  8. Transport properties of the square-well fluid from molecular dynamics simulation

    Molecular Physics, Vol. 122, Núm. 19-20

2023

  1. Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation

    Journal of Chemical Physics, Vol. 159, Núm. 22

  2. Effect of pressure on the carbon dioxide hydrate-water interfacial free energy along its dissociation line

    The Journal of chemical physics, Vol. 158, Núm. 19

  3. Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

    Journal of Chemical Physics, Vol. 158, Núm. 11

  4. Interfacial properties of square-well chains from molecular dynamics simulation

    Molecular Physics, Vol. 121, Núm. 19-20