JOSÉ LUIS
FERNÁNDEZ ABASCAL
Catedrático de universidad
Publications (103) JOSÉ LUIS FERNÁNDEZ ABASCAL publications
2023
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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
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Fluids meet solids
Journal of Chemical Physics
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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
2022
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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+
Journal of Chemical Physics, Vol. 156, Núm. 4
2021
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"in Silico" Seawater
Journal of Chemical Theory and Computation, Vol. 17, Núm. 3, pp. 1715-1725
2020
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Effect of dissolved salt on the anomalies of water at negative pressure
The Journal of chemical physics, Vol. 152, Núm. 19, pp. 194501
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Scaled charges at work: Salting out and interfacial tension of methane with electrolyte solutions from computer simulations
Fluid Phase Equilibria, Vol. 513
2019
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A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl-, and S O 4 2 - In aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
Journal of Chemical Physics, Vol. 151, Núm. 13
2018
2017
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A potential model for sodium chloride solutions based on the TIP4P/2005 water model
Journal of Chemical Physics, Vol. 147, Núm. 10
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Estimating the solubility of 1:1 electrolyte aqueous solutions: the chemical potential difference rule
Molecular Physics, Vol. 115, Núm. 9-12, pp. 1301-1308
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Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions
Journal of Chemical Physics, Vol. 146, Núm. 3
2016
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A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model
Journal of Chemical Physics, Vol. 145, Núm. 5
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Equation of state for water and its line of density maxima down to-120 MPa
Physical Chemistry Chemical Physics, Vol. 18, Núm. 8, pp. 5896-5900
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Molecular mechanism for cavitation in water under tension
Proceedings of the National Academy of Sciences of the United States of America, Vol. 113, Núm. 48, pp. 13582-13587
2015
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Bubble nucleation in simple and molecular liquids via the largest spherical cavity method
Journal of Chemical Physics, Vol. 142, Núm. 15
2014
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Anomalies in bulk supercooled water at negative pressure
Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, Núm. 22, pp. 7936-7941
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Detecting vapour bubbles in simulations of metastable water
Journal of Chemical Physics, Vol. 141, Núm. 18
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Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling
Physical Chemistry Chemical Physics, Vol. 16, Núm. 45, pp. 24913-24919
2013
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Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
Journal of Chemical Physics, Vol. 139, Núm. 15