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2006

E. Guàrdia, J. Martí, D. Laria
Reorientational dynamics of water molecules in aqueous ionic solutions at supercritical conditions: A computer simulation study
Journal of Molecular Liquids 125, 107-114 (2006)

E. Guàrdia, J. Martí, J. A. Padró
Ion solvation in aqueous supercritical electrolyte solutions at finite concentrations: a computer simulation study
Theoretical Chemistry Accounts 115, 161-169 (2006)

E. Guàrdia, D. Laria, J. Martí
Hydrogen bond structure and dynamics in aqueous electrolytes at ambient and supercritical conditions
Journal of Physical Chemistry B 110, 6332-6338 (2006)

M. Masia, M. Probst, R. Rey
Polarization damping in halide-water dimmers
Chemical Physics Letters 420, 267-270 (2006)

B. Nigro, S. Re, D. Laage, R. Rey and J.T. Hynes
On the ultrafast infrared spectroscopy of anion hydration shell hydrogen bond dynamics
J. Phys. Chem. A 110, 11237-11243 (2006)

V. Bitrián, J. Trullàs
Molecular Dynamics study of polarizable ion models for molten AgBr
Journal of Physical Chemistry B 110, 7490-7499 (2006)

V. Bitrián, J. Trullàs, M. Silbert, T. Enosaki, Y. Kawakita, S. Takeda
Neutron diffraction data and molecular dynamics simulations of the molten mixture Ag(Br0.7I0.3)
Journal of Chemical Physics 125, 184510/1-10 (2006)

J. Martí, G. Nagy, M. C. Gordillo, E. Guàrdia
Molecular simulation of liquid water confined inside graphite channels: Thermodynamics and Structural properties
Journal of Chemical Physics 124, 094703/1-7 (2006).

J. Martí, G. Nagy, E. Guàrdia, M. C. Gordillo
Molecular Dynamics Simulation of Liquid Water Confined inside Graphite Channels: Dielectric and Dynamical Properties
Journal of Physical Chemistry B 110, 23987-23994 (2006).

M. Canales and G. Sesé
On the analysis of conformational dynamics in polymers with several rotational isomers
Journal of Chemical Physics 125, 054906/1-6 (2006).

L. Vranjes, J. Boronat, J. Casulleras, C. Cazorla
Quantum Monte Carlo simulation of overpressurized liquid 4He at zero temperature
“Recent Progress in Many-Body Theories MB13”, ed. S. Hernández and Horacio Cataldo (World Scientific, Singapore,2006), pag. 190

G. E. Astrakharchik, J. Boronat, J. Casulleras, S. Giorgini
Quantum Monte Carlo study of a Fermi gas in the BEC-BCS crossover
“Recent Progress in Many-Body Theories MB13”, ed. S. Hernández and Horacio Cataldo (World Scientific, Singapore,2006), pag. 228

E. Sola, J. Casulleras, J. Boronat
Ground-state energy and stability of small 3He drops
Physical Review B 73, 092515/1-092515/4 (2006)

C. Cazorla, J. Boronat
Superfluidity versus localization in bulk 4He at zero temperature
Physical Review B 73, 224515/1-224515/4 (2006)

S. Pilati, K. Sakkos, J. Boronat, J. Casulleras, S. Giorgini
Equation of state of an interacting Bose gas at finite temperatura: a Path Integral Monte Carlo study
Physical Review A 74, 043621/1-043621/6 (2006)

A. Béré and A. Serra,
On the atomic structures, mobility and interactions of extended defects in GaN: dislocations, tilt and twin boundaries
Phil. Mag. A 86 2159–2192 (2006)

R.C. Pond, D.L. Medlin and A. Serra
A study of the accommodation of coherency strain by interfacial defects at a grain boundary in gold
Phil. Mag. A 86 4667–4684 (2006)