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Samuel Blazquez Fernandez
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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
512022
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
372020
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
222023
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
212022
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
182022
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
172022
Melting points of water models: Current situation
S Blazquez, C Vega
The Journal of Chemical Physics 156 (21), 2022
162022
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
92023
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
82023
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
82023
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
7*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
62023
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
42023
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
22023
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
12023
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, 4477-4485, 2024
2024
Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
S Blazquez, MM Conde, C Vega
Molecular Physics, e2306242, 2024
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
2024
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Articles 1–18