Skip to content

You are here: Home / Publications / By years / 2001


M. Canales, J. A. Padró
Self Dynamic structure factor of dense liquids: Theory and simulation
Physical Review E 63, 011207-1--011207-9 (2001)


J. A. Padró, N. Anento, M. Canales
Comment on "Neutron Brillouin Scattering Study of Collective Dynamics in a Dense He-Ne Gaseous Mixture"
Physical Review Letters 87, 039601-1 (2001)


N. Anento and J. A. Padró
Molecular dynamics study of the longitudinal modes in disparate-mass binary liquid mixtures
Physical Review E 64, 021202-1--021202-10 (2001)


N. Anento and J. A. Padró
Transverse collective  modes in liquid  binary alloys
Molecular Physics 99, 275-281 (2001)


A. Verdaguer, J. A. Padró
Computer simulation study of the velocity cross correlations between neighboring atoms in simple liquid binary mixtures
Journal of Chemical Physics 114, 2738-2744 (2001)


Ç. Tasseven, L. E. González, M. Silbert, O. Alcaraz, J. Trullàs
The brigde functions of molten salts
Journal of Chemical Physics 115, 4676-4680 (2001)


O. Alcaraz, J. Trullàs
Space-dependent  self-diffusion processes in molten copper halides: A molecular dynamics study
Journal of Chemical Physics 115, 7071-7075 (2001)


L. Saiz, J. A. Padró, E. Guàrdia
Structure of liquid ethylene glycol: A molecular dynamics simulation study with different force fields
Journal of Chemical Physics 114, 3187-3199 (2001)


E. Guàrdia, R. Pinzón, J. Casulleras, M. Orozco, F. J. Luque
Comparison of different three site interaction potentials for liquid acetonitrile
Molecular Simulation 26, 287-306 (2001)


G. Sesé, R. Palomar
Molecular dynamics studies of supercooled ethanol
Journal of Chemical Physics 114, 9975-9981 (2001)


J. Martí , M. C. Gordillo
Effects of confinement on the vibrational spectra of liquid water adsorved in carbon nanotubes
Physical Review B 63, 165430-1--165430-5 (2001).


J. Martí, M. C. Gordillo
Time-dependent properties of liquid water isotopes adsorbed in carbon nanotubes
Journal of Chemical Physics 114, 10486-10492 (2001).


M. C. Gordillo, J. Martí
Hydrogen-bonding in supercritical water confined in carbon nanotubes
Chemical Physics Letters 341, 250-254 (2001).


J. Martí, M. C. Gordillo
Temperature effects on the static and dynamic properties of liquid water inside nanotubes
Physical Review E 64, 021504-1--021504-6 (2001)


J. Martí
Transition path sampling study of the local molecular structure in the aqueous solvation of sodium chloride
Molecular Simulation 27, 169-185 (2001)


J. T. Hynes, R. Rey
Coulomb force and intramolecular energy flow effects for vibrational energy transfer for small molecules in polar solvents
in "Ultrafast Infrared and Raman Spectroscopy", ed. M.D. Fayer
Marcel Dekker, New York (2001)


E. Llanta, R. Rey
Collision induced absorption in liquid carbon tetrachloride
Chemical Physics Letters 340, 173-178 (2001)


E. Llanta, K. Ando, R. Rey
Fluctuating charge study of polarization effects in chlorinated organic liquids
Journal of Physical Chemistry B 105, 7783-7791 (2001)


F. Mazzanti, A. Polls, J. Boronat
High-momentum dynamic structure function of liquid 3He-4He mixtures: a microscopic calculation
Physical Review B 63, 054521-1--054521-11 (2001)


F. Mazzanti, A. Polls, J. Boronat
Mecánica Cuántica de los condensados de Bose-Einstein
Investigación y Ciencia 293, 66-74 (2001)


J. Boronat, J. Casulleras
New perspectives in the application of the diffusion Monte Carlo method to the study of liquid He3
International Journal of Modern Physics B 15, 1591-1600 (2001)


J. Boronat, J. Casulleras, V. Grau
Diffusion Monte Carlo calculation of fully polarized 3He.
Condensed Matter Theories 16, 141-150 (2001).


A. Serra
Atomic computer simulation: Large scale calculations of defect properties by empirical potentials
Phys. Stat. Sol. B  227, 151-175 (2001)


M. Pelfort, Yu. N. Osetsky, A. Serra
Features of vacancy interaction with  glissile interstitial clusters in bcc metals
Philosophical Magazine Letters 81, 803-811 (2001)