Skip to content


12.- "Molecular dynamics simulation of single ions in aqueous solutions: effects of the
flexibility of the water molecules"

E.Guàrdia, J.A.Padró
Journal of Physical Chemistry 94, 6049-6055 (1990)

13.- "On the description of atomic motions in dense fluids by the generalized Langevin
dynamics equation: statistical properties of random forces"

G.Sesé, E.Guàrdia, J.A.Padró
Journal of Statistical Physics 60, 501-518 (1990)

14.- "Molecular dynamics simulation of ferrous and ferric ions in water"

E.Guàrdia , J.A.Padró
Chemical Physics 144, 353-362 (1990)

15.- "Molecular dynamics simulation of polar liquids on a supernode transputer array"

J.Casulleras, E.Guàrdia
Proceedings of the 2nd ESPRIT Parallel Computing Action workshop, Ispra (Italy), December 1990.

16.- "Computer simulation of liquid methanol. I. Molecular dynamics on a supernode
transputer array"

J.Casulleras, E.Guàrdia
Molecular Simulation 7, 155-169 (1991)

17.- "Potential of Mean Force by Constrained Molecular Dynamics: A sodium-chloride
ion pair in aqueous solution"

E.Guàrdia, R.Rey, J.A.Padró
Chemical Physics 155, 187-195 (1991)

18.- "Na+-Na+ and Cl--Cl- ion pairs in water: Mean Force Potentials by constrained
molecular dynamics"

E.Guàrdia, R.Rey, J.A.Padró
Journal of Chemical Physics 95, 2823-2831 (1991)

19.- "Computer simulation of liquid methanol. II. System size effects"

J.Casulleras, E.Guàrdia
Molecular Simulation 8, 273-283 (1992)

20.- "Dynamical aspects of the Na+-Cl- ion pair association in water"

R.Rey, E.Guàrdia
Journal of Physical Chemistry 96, 4712-4718 (1992)

21.- "Friction kernels for the relative dynamics of ion pairs in water"

R.Rey, E.Guàrdia, J.A.Padró
Journal of Chemical Physics 97, 1343-1352 (1992)

22.- "Statistical errors in constrained Molecular dynamics calculations of the mean force potential"

E.Guàrdia, R.Rey, J.A.Padró
Molecular Simulation 9, 201-211 (1992)

23.- "Generalized Langevin dynamics simulation of activated processes in solution:
Ion pair interconversion in water"

R.Rey, E.Guàrdia, J.A.Padró
Journal of Chemical Physics 97, 8276-8284 (1992)

24.- "A parallel strategy for Molecular dynamics simulations of polar liquids on Transputer arrays"

J.Casulleras, E.Guàrdia
in Physics Computing'92, eds. R.A. de Groot, J.Nadrchal,
World Scientific, 1993, pp. 298-300.

25.- "Mean force potential for the calcium-chloride ion pair in water"

E.Guàrdia, A.Robinson, J.A.Padró
Journal of Chemical Physics 99, 4229-4230 (1993)

26.- "Computer simulation of molecular motions in liquids: Infrared spectra of water and

heavy water"

J.Martí, J.A.Padró, E.Guàrdia
Molecular Simulation 11, 321-336 (1993)

27.- "Molecular dynamics simulation of liquid water at 523 K"

J.A.Padró, J.Martí, E.Guàrdia
J.Phys.:Condens. Matter 6, 2283-2290 (1994)

28.- "Far-infrared spectra of HCl in dense Ar and time-dependent anisotropic potential
autocorrelation functions: A Molecular dynamics simulation study"

A.Medina, A.Calvo Hernández, S.Velasco, E.Guàrdia
Journal of Chemical Physics 100, 252-261 (1994)

29.- "Dielectric properties and infrared spectra of liquid water: Influence of the dynamic
cross correlations"

J.Martí, E.Guàrdia, J.A.Padró
Journal of Chemical Physics 101, 10883-10891 (1994)

30.- "On hydrogen bonding effects in liquid methanol: A molecular dynamics simulation study"

E.Guàrdia, G.Sesé, J.A.Padró
Journal of Molecular Liquids 62, 1-16 (1994)

31.- "Molecular dynamics calculation of the Infrared spectra in liquid H2O-D2O mixtures"

J.Martí, J.A.Padró, E.Guàrdia
Journal of Molecular Liquids 62, 17-31 (1994)