Publicaciones (246) Publicaciones de CARLOS VEGA DE LAS HERAS

2024

  1. Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+

    Journal of Chemical Physics

  2. Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect

    Molecular Physics

2023

  1. 2021 JCP Emerging Investigator Special Collection

    Journal of Chemical Physics

  2. Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions

    Journal of Molecular Liquids, Vol. 377

  3. Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 16, pp. 5380-5393

  4. Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT seeding simulations

    Journal of Chemical Physics, Vol. 158, Núm. 12

  5. Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3−) and ammonium (NH4+) ions

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

  6. Growth rate of CO2 and CH4 hydrates by means of molecular dynamics simulations

    The Journal of chemical physics, Vol. 159, Núm. 6

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

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

  8. Minimum in the pressure dependence of the interfacial free energy between ice Ih and water

    Journal of Chemical Physics, Vol. 158, Núm. 12

  9. On the possible locus of the liquid-liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model

    Journal of Chemical Physics, Vol. 158, Núm. 20

  10. Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water

    Journal of Chemical Physics, Vol. 158, Núm. 5

  11. Solubility of carbon dioxide in water: Some useful results for hydrate nucleation

    Journal of Chemical Physics, Vol. 158, Núm. 18

  12. The water cavitation line as predicted by the TIP4P/2005 model

    Journal of Chemical Physics, Vol. 158, Núm. 12

  13. Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study

    Journal of Molecular Liquids, Vol. 383

2022

  1. A New Force Field for OH-for Computing Thermodynamic and Transport Properties of H2and O2in Aqueous NaOH and KOH Solutions

    Journal of Physical Chemistry B, Vol. 126, Núm. 45, pp. 9376-9387

  2. Freezing point depression of salt aqueous solutions using the Madrid-2019 model

    The Journal of chemical physics, Vol. 156, Núm. 13, pp. 134503

  3. Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations

    Journal of Chemical Physics, Vol. 157, Núm. 9

  4. Maximum in density of electrolyte solutions: Learning about ion-water interactions and testing the Madrid-2019 force field

    Journal of Chemical Physics, Vol. 156, Núm. 15

  5. Melting points of water models: Current situation

    Journal of Chemical Physics, Vol. 156, Núm. 21