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Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3-) and ammonium (NH4+) ions
PDF
V.M.Trejos, M. de Lucas, C.Vega, S.Blazquez, F. Gamez
J.Chem.Phys.
159
224501 (2023)
Supplementary Material
Growth rate of CO2 and CH4 hydrates by means of molecular dynamics simulations
PDF
S.Blazquez, M.M.Conde, C.Vega and E.Sanz
J.Chem.Phys.
159
064503 (2023)
Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces , One Property
PDF
S.Blazquez,J.L.F.Abascal,J.Lagerweij,P.Habibi,P.Dey,T.J.H.Vlugt,O.A.Moultos and C.Vega
J.Chem.Theo.Comput.
19
5380 (2023)
Supplementary Material
On the possible locus of the liquid–liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model
PDF
J.R.Espinosa, J.L.F.Abascal, L.F.Sedano,E.Sanz and C.Vega
J.Chem.Phys.
158
204505 (2023)
Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
PDF
S. Blazquez, C.Vega and M. M. Conde
J.Mol.Liq.
383
122031 (2023)
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
PDF
P.M.de Hijes, J.R.Espinosa, C.Vega and C. Dellago
J.Chem.Phys.
158
124503 (2023)
Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions.
PDF
F.Gamez, L.F.Sedano, S.Blazquez, J.Troncoso and C.Vega
Journal of Molecular Liquids
377
121433 (2023)
Supplementary Material
Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water
PDF
S.Blazquez, M.M.Conde and C.Vega
J.Chem.Phys.
158
054505 (2023)
Supplementary Material
The water cavitation line as predicted by the TIP4P/2005 model
PDF
C.P.Lamas, C.Vega, E.G.Noya, and E.Sanz
J.Chem.Phys.
158
124504 (2023)
Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PDF
J.Grabowska,S.Blazquez,E.Sanz,E.G.Noya,I.M.Zeron,J.Algaba,J.M.Miguez,F.J.Blas and C.Vega
J.Chem.Phys.
158
114505 (2023)
Supplementary Material
Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT Seeding simulations
PDF
C.P.Lamas, E.Sanz, C.Vega and E.G.Noya
J.Chem.Phys.
158
124109 (2023)
Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PDF
J. Algaba, I.M.Zeron, J.M.Miguez, J.Grabowska, S. Blazquez, E. Sanz, C. Vega and F.J. Blas
J.Chem.Phys.
158
184703 (2023)