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List of works by José Luis F Abascal

A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model. ⬇️

scientific article published in August 2016

A flexible model for water based on TIP4P/2005 ⬇️

scientific article published on December 14, 2011

A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl-, and SO4 2- in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

scientific article published on 01 October 2019

A general purpose model for the condensed phases of water: TIP4P/2005

scientific article (publication date: 15 December 2005)

A potential model for sodium chloride solutions based on the TIP4P/2005 water model

scientific article

A potential model for the study of ices and amorphous water: TIP4P/Ice.

scientific article published in June 2005

Anomalies in bulk supercooled water at negative pressure

scientific article

Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

scientific article published in April 2015

Characterization of the order-disorder transition of a charged hard-sphere model

scientific article published on 25 November 2003

Combinatorial entropy and phase diagram of partially ordered ice phases

scientific article published on 01 November 2004

Computer simulation of the ionic atmosphere around Z-DNA

scientific article published on 01 December 2006

Detecting vapour bubbles in simulations of metastable water

scientific article published on 01 November 2014

Determining the phase diagram of water from direct coexistence simulations: the phase diagram of the TIP4P/2005 model revisited

scientific article

Dipole-quadrupole force ratios determine the ability of potential models to describe the phase diagram of water

scientific article published on 05 June 2007

Equation of state for water and its line of density maxima down to -120 MPa.

scientific article published on 3 February 2016

Erratum: "Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions" [J. Chem. Phys. 146, 034502 (2017)].

scientific article published in February 2018

Formation of high density amorphous ice by decompression of ice VII and ice VIII at 135 K

scientific article published on 01 December 2004

Heat capacity of water: A signature of nuclear quantum effects

scientific article published on 01 January 2010

Homogeneous bubble nucleation in water at negative pressure: a Voronoi polyhedra analysis.

scientific article published in February 2013

Molecular mechanism for cavitation in water under tension. ⬇️

scientific article

Note: Equation of state and compressibility of supercooled water: simulations and experiment.

scientific article published in May 2011

Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling

scientific article published on 01 December 2014

Phase diagram of water from computer simulation

scientific article published on 22 June 2004

Physics and chemistry of water and ice

scientific article published on 19 October 2011

Properties of ices at 0 K: A test of water models

scientific article published on 01 October 2007

Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII

scientific article published on 01 April 2005

Relation between the melting temperature and the temperature of maximum density for the most common models of water

scientific article published on 01 October 2005

Simulating water with rigid non-polarizable models: a general perspective ⬇️

scientific article published on September 16, 2011

The melting point of hexagonal ice (Ih) is strongly dependent on the quadrupole of the water models

scientific article published on 03 May 2007

The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface

scientific article published on 01 April 2006

The melting temperature of the most common models of water

scientific article published on 01 March 2005

The melting temperature of the six site potential model of water

article

Tracing the phase diagram of the four-site water potential (TIP4P)

scientific article published on 01 July 2004

Triple points and coexistence properties of the dense phases of water calculated using computer simulation

scientific article published on 06 November 2008

Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions ⬇️

scientific article published on January 2017

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

scientific article published on 01 July 2006

What ice can teach us about water interactions: a critical comparison of the performance of different water models.

scientific article published in January 2009

Widom line and the liquid-liquid critical point for the TIP4P/2005 water model

scientific article published on 01 December 2010

“In Silico” Seawater

scientific article published on 05 February 2021

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