![Foto de SAMUEL](/img/nophoto.png)
SAMUEL
BLÁZQUEZ FERNÁNDEZ
Profesor ayudante
Argitalpenak (22) SAMUEL BLÁZQUEZ FERNÁNDEZ argitalpenak
2024
-
Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?
Journal of Chemical Physics, Vol. 161, Núm. 4
-
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields
Journal of Physical Chemistry Letters, Vol. 15, Núm. 16, pp. 4477-4485
-
Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+
Journal of Chemical Physics
-
Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
Molecular Physics
-
The temperature of maximum in density of aqueous solutions of nitrate and ammonium salts: Testing the Madrid-2019 force field
Journal of Chemical Physics, Vol. 161, Núm. 4
-
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
-
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
-
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
2023
-
Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions
Journal of Molecular Liquids, Vol. 377
-
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
-
Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3−) and ammonium (NH4+) ions
Journal of Chemical Physics, Vol. 159, Núm. 22
-
Growth rate of CO2 and CH4 hydrates by means of molecular dynamics simulations
The Journal of chemical physics, Vol. 159, Núm. 6
-
Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
Journal of Chemical Physics, Vol. 158, Núm. 11
-
Location and Concentration of Aromatic-Rich Segments Dictates the Percolating Inter-Molecular Network and Viscoelastic Properties of Ageing Condensates
Advanced Science, Vol. 10, Núm. 25
-
Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water
Journal of Chemical Physics, Vol. 158, Núm. 5
-
Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
Journal of Chemical Physics, Vol. 158, Núm. 18
-
Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
Journal of Molecular Liquids, Vol. 383
2022
-
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
-
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
-
Melting points of water models: Current situation
Journal of Chemical Physics, Vol. 156, Núm. 21