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1996

E. Guàrdia, J. A. Padró
On the structure and dynamic properties of aqueous solutions: Molecular dynamics simulation  of Cl- and Cl2- in water
Molecular Simulation 17, 83-94 (1996)

 

E. Guàrdia, J. A. Padró
On the influence of the ionic charge on the mean force potential of ion-pairs in water
Journal of Chemical Physics 104, 7219-23 (1996)

 

S. Kalko, G. Sesé, J. A. Padró
On the effects of truncating the electrostatic interactions::Free energies of ion hydration
Journal of Chemical Physics 104, 9578-9585 (1996)

 

J. Martí, J. A. Padró, E. Guàrdia
Molecular dynamics simulation of liquid water along the coexistence curve: Hydrogen bonds  and vibrational spectra
Journal of Chemical Physics 105, 639-649 (1996)

 

E. Guàrdia, J. A. Padró, J. Martí
Intermolecular vibrational spectra of water in ionic aqueous solutions
in "Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems" ed. M. Chergui
World Cientific (1996), pp. 554-557

 

G. Sesé, E. Guàrdia, J. A. Padró
Molecular dynamics study of Na+ and Cl- in methanol
Journal of Chemical Physics 105, 8826-8834 (1996)

 

D. García, E. Guàrdia
"Elements de mecànica aplicada a la robòtica"
Edicions de la UPC, Barcelona (1996)

 

 S. Giorgini, J. Boronat, J. Casulleras
Vortex excitation in superfluid He: A diffusion Monte Carlo study
Physical Review Letters 77, 2754-2757 (1996)

 

J. Casulleras, J. Boronat, A. Polls
Static properties of one 3He impurity in superfluid 4He
Czechoslovak Journal of Physics 46-S1, 271-272 (1996)

 

J. Boronat, J. Casulleras, S. Giorgini
Excited states in superfluid 4He: a Monte Carlo approach
Czechoslovak Journal of Physics 46-S1, 273-274 (1996)

S. Giorgini, J. Boronat, J. Casulleras
Diffusion Monte Carlo study of two-dimensional liquid He
Physical Review B 54, 6099-6102, (1996)

 

G. Sesé
Simulació i estudi de sistemes de partícules
Teraflop (Noticiario del CESCA) 16 (1996)

 

 L. E. González, D. J. González, M. Canales
Atomic dynamics in liquid lithium. A theoretical study.
Z. Phys. B 100, 601-611 (1996)

 

R. Rey, J. T. Hynes
Vibrational energy relaxation of HDO in D2O
Journal of Chemical Physics 104, 2356-2368 (1996)

 

R. Rey
Rate constants in the spatial diffusion regime for a model based on the generalized Langevin equation
Journal of Chemical Physics 104, 1966-1972 (1996)

 

R. Rey, J. T. Hynes
Hydration shell exchange kinetics: an MD study for Na+(aq)
Journal of Physical Chemistry 100, 5611-5615 (1996)

 

R. Rey, J. T. Hynes
Hydration shell exchange dynamics for Na+ in water
Journal of Physics: Condensed Matter 8, 9411-9416 (1996)

 

F. Mazzanti, J. Boronat, A. Polls
Final-state effects on superfluid 4He in the deep inelastic regime
Physical Review B 53, 5661-5669 (1996)

 

F. Mazzanti, A. Polls, J. Boronat
Coherent and incoherent dynamic structure functions of the free Fermi gas
Physics Letters A 220, 251-257 (1996)

 

A. Serra, D. J. Bacon
A new model for $(10- 12)$ twin grouth in h. c. p. metals
Philosophical Magazine A 73, 333-343 (1996)

 

Yu. N. Osetsky, A. Serra
Study of Cu precipitates in a-iron by computer simulation: II Interaction potential for Fe-Cu interactions and properties of coherent precipitates
Philosofical Magazine A 73, 249-263 (1996)

 

J. A. Padró, E. Guàrdia
Molecular dynamics simulation of HCl in liquid argon
Journal of Molecular Liquids 70, 199-213 (1996)

 

M. Canales, A. Giró, J. A. Padró
Molecular Dynamics simulation of LiMg and LiNa alloys
Journal of Non-Crystalline Solids 205-207, 907-910 (1996)