A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO42− in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions IM Zeron, JLF Abascal, C Vega The Journal of chemical physics 151 (13), 2019 | 234 | 2019 |
Scaled charges at work: Salting out and interfacial tension of methane with electrolyte solutions from computer simulations S Blazquez, IM Zeron, MM Conde, JLF Abascal, C Vega Fluid Phase Equilibria 513, 112548, 2020 | 40 | 2020 |
“In Silico” Seawater IM Zeron, MA Gonzalez, E Errani, C Vega, JLF Abascal Journal of Chemical Theory and Computation 17 (3), 1715-1725, 2021 | 25* | 2021 |
Solubility of methane in water: Some useful results for hydrate nucleation J Grabowska, S Blazquez, E Sanz, IM Zerón, J Algaba, JM Míguez, ... The Journal of Physical Chemistry B 126 (42), 8553-8570, 2022 | 24 | 2022 |
Simulation of the carbon dioxide hydrate-water interfacial energy J Algaba, E Acuña, JM Míguez, B Mendiboure, IM Zerón, FJ Blas Journal of Colloid and Interface Science 623, 354-367, 2022 | 15 | 2022 |
Continuous version of a square-well potential of variable range and its application in molecular dynamics simulations IM Zerón, C Vega, AL Benavides Molecular Physics 116 (21-22), 3355-3365, 2018 | 14 | 2018 |
Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations J Grabowska, S Blazquez, E Sanz, EG Noya, IM Zerón, J Algaba, ... The Journal of chemical physics 158 (11), 2023 | 12 | 2023 |
Discrete potential fluids in the supercritical region IM Zerón, J Torres-Arenas, EN de Jesús, BV Ramírez, AL Benavides Journal of Molecular Liquids 293, 111518, 2019 | 12 | 2019 |
Discrete perturbation theory for Mie potentials IM Zerón, LA Padilla, F Gámez, J Torres-Arenas, AL Benavides Journal of Molecular Liquids 229, 125-136, 2017 | 12 | 2017 |
Solubility of carbon dioxide in water: Some useful results for hydrate nucleation J Algaba, IM Zerón, JM Míguez, J Grabowska, S Blazquez, E Sanz, ... The Journal of Chemical Physics 158 (18), 2023 | 10 | 2023 |
Simulation of the CO2 hydrate–water interfacial energy: The mold integration–guest methodology IM Zerón, JM Míguez, B Mendiboure, J Algaba, FJ Blas The Journal of Chemical Physics 157 (13), 2022 | 8 | 2022 |
Transport properties of the square-well fluid from molecular dynamics simulation IM Zerón, M Cueto-Mora, FJ Blas Molecular Physics, e2302385, 2024 | 1 | 2024 |
Effect of pressure on the carbon dioxide hydrate–water interfacial free energy along its dissociation line C Romero-Guzmán, IM Zerón, J Algaba, B Mendiboure, JM Míguez, ... The Journal of Chemical Physics 158 (19), 2023 | 1 | 2023 |
A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions IM Zeron, JLF Abascal, C Vega | | 2019 |
Simulation of the carbon dioxide hydrate-water interfacial energy J Algaba Fernández, E Acuña, JM Míguez Díaz, B Mendiboure, IM Zerón, ... Elsevier, 0 | | |