The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F−, Br−, I−, Rb+, and Cs+ S Blazquez, MM Conde, JLF Abascal, C Vega The Journal of Chemical Physics 156 (4), 2022 | 61 | 2022 |
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 | 41 | 2020 |
Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water S Blazquez, MM Conde, C Vega The Journal of Chemical Physics 158 (5), 2023 | 30 | 2023 |
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 | 29 | 2022 |
A New Force Field for OH– for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions P Habibi, A Rahbari, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry B 126 (45), 9376-9387, 2022 | 24 | 2022 |
Melting points of water models: Current situation S Blazquez, C Vega The Journal of Chemical Physics 156 (21), 2022 | 21 | 2022 |
Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field LF Sedano, S Blazquez, EG Noya, C Vega, J Troncoso The Journal of chemical physics 156 (15), 2022 | 20 | 2022 |
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 | 16 | 2023 |
Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study S Blazquez, C Vega, MM Conde Journal of Molecular Liquids 383, 122031, 2023 | 15 | 2023 |
Computation of electrical conductivities of aqueous electrolyte solutions: Two surfaces, one property S Blazquez, JLF Abascal, J Lagerweij, P Habibi, P Dey, TJH Vlugt, ... Journal of chemical theory and computation 19 (16), 5380-5393, 2023 | 15 | 2023 |
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 | 14 | 2023 |
Location and Concentration of Aromatic‐Rich Segments Dictates the Percolating Inter‐Molecular Network and Viscoelastic Properties of Ageing Condensates S Blazquez, I Sanchez‐Burgos, J Ramirez, T Higginbotham, MM Conde, ... Advanced Science 10 (25), 2207742, 2023 | 11 | 2023 |
Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate S Blazquez, J Algaba, JM Míguez, C Vega, FJ Blas, MM Conde The Journal of chemical physics 160 (16), 2024 | 6 | 2024 |
Growth rate of CO2 and CH4 hydrates by means of molecular dynamics simulations S Blazquez, M M Conde, C Vega, E Sanz The Journal of chemical physics 159 (6), 2023 | 6 | 2023 |
Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates J Algaba, S Blazquez, JM Míguez, MM Conde, FJ Blas The Journal of Chemical Physics 160 (16), 2024 | 5 | 2024 |
Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions F Gámez, LF Sedano, S Blazquez, J Troncoso, C Vega Journal of Molecular Liquids 377, 121433, 2023 | 5 | 2023 |
Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate J Algaba, S Blazquez, E Feria, JM Míguez, MM Conde, FJ Blas The Journal of Chemical Physics 160 (16), 2024 | 4 | 2024 |
Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3−) and ammonium (NH4+) ions VM Trejos, M de Lucas, C Vega, S Blazquez, F Gámez The Journal of Chemical Physics 159 (22), 2023 | 3 | 2023 |
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields P Habibi, HM Polat, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos The Journal of Physical Chemistry Letters 15 (16), 4477-4485, 2024 | 2 | 2024 |
Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+ S Blazquez, IC Bourg, C Vega The Journal of Chemical Physics 160 (4), 2024 | 1 | 2024 |