Jose Luis F. Abascal
Jose Luis F. Abascal
Correu electrònic verificat a quim.ucm.es
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A general purpose model for the condensed phases of water: TIP4P/2005
JLF Abascal, C Vega
The Journal of chemical physics 123 (23), 234505, 2005
23682005
A potential model for the study of ices and amorphous water: TIP4P/Ice
JLF Abascal, E Sanz, R García Fernández, C Vega
The Journal of chemical physics 122 (23), 234511, 2005
7302005
Simulating water with rigid non-polarizable models: a general perspective
C Vega, JLF Abascal
Physical Chemistry Chemical Physics 13 (44), 19663-19688, 2011
6562011
What ice can teach us about water interactions: a critical comparison of the performance of different water models
C Vega, JLF Abascal, MM Conde, JL Aragones
Faraday discussions 141, 251-276, 2009
3912009
The melting temperature of the most common models of water
C Vega, E Sanz, JLF Abascal
The Journal of chemical physics 122 (11), 114507, 2005
3412005
The melting point of ice for common water models calculated from direct coexistence of the solid-liquid interface
R García Fernández, JLF Abascal, C Vega
The Journal of chemical physics 124 (14), 144506, 2006
3372006
Phase diagram of water from computer simulation
E Sanz, C Vega, JLF Abascal, LG MacDowell
Physical review letters 92 (25), 255701, 2004
2992004
Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins
C Vega, E Sanz, JLF Abascal, EG Noya
Journal of Physics: Condensed Matter 20 (15), 153101, 2008
2782008
Widom line and the liquid–liquid critical point for the TIP4P/2005 water model
JLF Abascal, C Vega
The Journal of Chemical Physics 133 (23), 234502, 2010
2572010
The shear viscosity of rigid water models
MA González, JLF Abascal
The Journal of chemical physics 132 (9), 096101, 2010
2132010
Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice
C Vega, JLF Abascal, I Nezbeda
The Journal of chemical physics 125 (3), 034503, 2006
2112006
Homogeneous ice nucleation at moderate supercooling from molecular simulation
E Sanz, C Vega, JR Espinosa, R Caballero-Bernal, JLF Abascal, ...
Journal of the American Chemical Society 135 (40), 15008-15017, 2013
1922013
Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima
HL Pi, JL Aragones, C Vega, EG Noya, JLF Abascal, MA Gonzalez, ...
Molecular Physics 107 (4-6), 365-374, 2009
1352009
Relation between the melting temperature and the temperature of maximum density for the most common models of water
C Vega, JLF Abascal
The Journal of chemical physics 123 (14), 144504, 2005
1282005
The Voronoi polyhedra as tools for structure determination in simple disordered systems
JCG Montoro, JLF Abascal
The Journal of Physical Chemistry 97 (16), 4211-4215, 1993
1231993
A flexible model for water based on TIP4P/2005
MA González, JLF Abascal
The Journal of chemical physics 135 (22), 224516, 2011
1152011
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices I h, I c, II, III, IV, V, VI, VII, VIII, IX, XI and XII
C Vega, C McBride, E Sanz, JLF Abascal
Physical Chemistry Chemical Physics 7 (7), 1450-1456, 2005
1152005
Can simple models describe the phase diagram of water?
C Vega, JLF Abascal, E Sanz, LG MacDowell, C McBride
Journal of Physics: Condensed Matter 17 (45), S3283, 2005
1062005
Tracing the phase diagram of the four-site water potential (TIP4P)
E Sanz, C Vega, JLF Abascal, LG MacDowell
The Journal of chemical physics 121 (2), 1165-1166, 2004
892004
Heat capacity of water: A signature of nuclear quantum effects
C Vega, MM Conde, C McBride, JLF Abascal, EG Noya, R Ramírez, ...
The Journal of chemical physics 132 (4), 046101, 2010
882010
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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