Jose L F Abascal
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Explore the profile of Jose L F Abascal including associated specialties, affiliations and a list of published articles.
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Citations
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Recent Articles
11.
Abascal J, Gonzalez M, Aragones J, Valeriani C
J Chem Phys
. 2013 Mar;
138(8):084508.
PMID: 23464161
We investigate vapor bubble nucleation in metastable TIP4P/2005 water at negative pressure via the Mean First Passage Time (MFPT) technique using the volume of the largest bubble as a local...
12.
Gonzalez M, Abascal J
J Chem Phys
. 2011 Dec;
135(22):224516.
PMID: 22168712
A new flexible water model, TIP4P/2005f, is developed. The idea was to add intramolecular degrees of freedom to the successful rigid model TIP4P/2005 in order to try to improve the...
13.
Vega C, Abascal J
Phys Chem Chem Phys
. 2011 Sep;
13(44):19663-88.
PMID: 21927736
Over the last forty years many computer simulations of water have been performed using rigid non-polarizable models. Since these models describe water interactions in an approximate way it is evident...
14.
Abascal J, Vega C
J Chem Phys
. 2010 Dec;
133(23):234502.
PMID: 21186870
The Widom line and the liquid-liquid critical point of water in the deeply supercooled region are investigated via computer simulation of the TIP4P/2005 model. The Widom line has been calculated...
15.
Gonzalez M, Abascal J
J Chem Phys
. 2010 Mar;
132(9):096101.
PMID: 20210414
In this work, the shear viscosity at ambient conditions of several water models (SPC/E, TIP4P, TIP5P, and TIP4P/2005) is evaluated using the Green-Kubo formalism. The performance of TIP4P/2005 is excellent,...
16.
Vega C, McBride C, Sanz E, Abascal J
Phys Chem Chem Phys
. 2009 Oct;
7(7):1450-6.
PMID: 19787967
Monte Carlo computer simulation studies have been undertaken for virtually all of the ice phases as well as for liquid water for three of the most popular model potentials; namely...
17.
Abascal J, Sanz E, Vega C
Phys Chem Chem Phys
. 2009 Mar;
11(3):556-62.
PMID: 19283273
In recent years our group has performed a thorough study of the dense region of the phase diagram of water. In this paper we report the numerical results for the...
18.
Abascal J, Vega C
Phys Rev Lett
. 2007 Aug;
98(23):237801.
PMID: 17677934
We show that, in order to yield an acceptable phase diagram for water, the key ingredient is the relative strength of the dipolar and quadrupolar forces. We also demonstrate that...
19.
Abascal J, Vega C
Phys Chem Chem Phys
. 2007 Jun;
9(22):2775-8.
PMID: 17538723
It is shown that quadrupolar interactions play a determinant role in the melting temperatures of common water models and that there is a simple relationship between the strength of the...
20.
Abascal J, Fernandez R, Vega C, Carignano M
J Chem Phys
. 2006 Nov;
125(16):166101.
PMID: 17092145
No abstract available.