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José Alejandre
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Molecular dynamics simulation of the orthobaric densities and surface tension of water
J Alejandre, DJ Tildesley, GA Chapela
The Journal of chemical physics 102 (11), 4574-4583, 1995
8201995
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
ME Tuckerman, J Alejandre, R López-Rendón, AL Jochim, GJ Martyna
Journal of Physics A: Mathematical and General 39 (19), 5629, 2006
6512006
Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers
A Trokhymchuk, J Alejandre
The Journal of chemical physics 111 (18), 8510-8523, 1999
5181999
Electrostatic interactions in dissipative particle dynamics using the Ewald sums
M González-Melchor, E Mayoral, ME Velázquez, J Alejandre
The Journal of chemical physics 125 (22), 2006
2122006
Oscillatory surface tension due to finite-size effects
P Orea, J López-Lemus, J Alejandre
The Journal of chemical physics 123 (11), 2005
1462005
Non-polarizable force field of water based on the dielectric constant: TIP4P/ε
R Fuentes-Azcatl, J Alejandre
The Journal of Physical Chemistry B 118 (5), 1263-1272, 2014
1422014
Force field of monoethanolamine
J Alejandre, JL Rivera, MA Mora, V de la Garza
The Journal of Physical Chemistry B 104 (6), 1332-1337, 2000
1202000
Thermodynamic and transport properties of simple fluids using lattice sums: bulk phases and liquid-vapour interface
J Lopez-Lemus, J Alejandre
Molecular Physics 100 (18), 2983-2992, 2002
1172002
Molecular dynamics simulations of the surface tension of ionic liquids
M González-Melchor, F Bresme, J Alejandre
The Journal of chemical physics 122 (10), 2005
1142005
The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactions
J Alejandre, GA Chapela
The Journal of chemical physics 132 (1), 2010
1072010
Molecular dynamics for discontinuous potentials: I. General method and simulation of hard polyatomic molecules
GA Chapela, SE Martínez-Casas, J Alejandre
Molecular Physics 53 (1), 139-159, 1984
971984
Surface tension of organic liquids using the OPLS/AA force field
RA Zubillaga, A Labastida, B Cruz, JC Martínez, E Sanchez, J Alejandre
Journal of Chemical Theory and Computation 9 (3), 1611-1615, 2013
902013
The intrinsic structure of the water surface
E Chacón, P Tarazona, J Alejandre
The Journal of chemical physics 125 (1), 2006
862006
Ions in water: From ion clustering to crystal nucleation
J Alejandre, JP Hansen
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 76 (6 …, 2007
812007
Fluid phase equilibria using molecular dynamics: the surface tension of chlorine and hexane
J Alejandre, DJ Tildesley, GA Chapela
Molecular Physics 85 (3), 651-663, 1995
801995
The short range anion-H interaction is the driving force for crystal formation of ions in water
J Alejandre, GA Chapela, F Bresme, JP Hansen
The Journal of chemical physics 130 (17), 2009
792009
Stress anisotropy induced by periodic boundary conditions
M González-Melchor, P Orea, J López-Lemus, F Bresme, J Alejandre
The Journal of chemical physics 122 (9), 2005
782005
Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: A molecular dynamics simulation
E Dıaz-Herrera, J Alejandre, G Ramırez-Santiago, F Forstmann
The Journal of chemical physics 110 (16), 8084-8089, 1999
671999
Effect of flexibility on surface tension and coexisting densities of water
J López-Lemus, GA Chapela, J Alejandre
The Journal of chemical physics 128 (17), 2008
662008
Surface tension of a square well fluid
P Orea, Y Duda, J Alejandre
The Journal of chemical physics 118 (12), 5635-5639, 2003
652003
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