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(Br_0.7I_0.3)
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)