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2000

E. Guàrdia, R. Pinzón
On the solvation shell of Na+ and Cl- ions in acetonitrile: A computer simulation study
Journal of Molecular Liquids 85, 33-44 (2000)

 

J. Martí, F. S.Csajka
The aqueous solvation of sodium chloride: A Monte Carlo transition path sampling study
Journal of Chemical Physics 113, 1154-1161 (2000)

 

J. Martí, F. S. Csajka, D. Chandler
Stochastic transition pathways in the aqueous sodium chloride dissociation process
Chemical Physics Letters 328, 169-176 (2000)

 

O. Alcaraz, J. Trullàs
Mass and size dependence of single ion dynamics in molten monohalides
Journal of Chemical Physics 113, 10635-10641 (2000)

 

A. Verdaguer, J. A. Padró, J. Trullàs
Velocity cross-correlations in Lennard Jones and soft-sphere fluids: a molecular dynamics simulation study
Journal of Molecular Liquids 85, 23-32 (2000)

 

A. Verdaguer, J. A. Padró
Velocity cross correlations and atomic momentum transfer in simple liquids with different potential cores
Physical Review E 62, 532-537 (2000).

 

N. Anento, J. A. Padró
Longitudinal collective modes in simple liquid binary alloys: A computer simulation study
Physical Review E 62, 11428-11436 (2000).

 

L. Saiz, E. Guàrdia, J. A. Padró
Dielectric properties of liquid ethanol. A computer simulation study
Journal of Chemical Physics 113, 2814-2822 (2000)

 

R. Rey, L. C. Pardo, E. Llanta, K. Ando, D. O. López, J. Ll. Tamarit, M. Barrio
X ray and Molecular Dynamics study of liquid structure in pure methylchloromethane compounds ((CH3)4-nCCln)
Journal of Chemical Physics 112, 7505-7517 (2000)

 

A. V. Egorov, A. V. Komolkin, V. I. Chizhik, J. A. Padró, E. Guàrdia
Molecular dynamics simulation of the structure of water in a wide temperature range
Russian Journal of Physical Chemistry 74, 1650-1654 (2000)

 

J. Martí
Dynamic properties of hydrogen-bonded networks in supercritical water
Physical Review E 61, 449-456 (2000)

 

M. C. Gordillo, J. Martí
Hydrogen bond structure of liquid water confined in nanotubes
Chemical Physics Letters 329, 341-345 (2000)

 

J. Casulleras, J. Boronat
Progress in Monte Carlo calculations of Fermi systems: normal liquid 3He
Physical Review Letters 84, 3121-3124 (2000)

 

M. C. Gordillo, J. Boronat, J. Casulleras
Zero-temperature equation of state of quasi-one-dimensional H2
Physical Review Letters 85, 2348-2351 (2000)

 

M. C. Gordillo, J. Boronat, J. Casulleras
Quasi one dimensional 4He inside carbon nanotubes
Physical Review B 61, R878-R881 (2000)

 

J. Boronat, J. Casulleras, S. Giorgini,
Quantum hard spheres as a model for a homogeneous Bose gas
Physica B 284, 1-2 (2000)

 

J. M. Marín, J. Boronat, J. Casulleras
Finite H2 concentrations in superfluid 4He
Physica B 284, 95-96 (2000)

 

J. Boronat, J. Casulleras
Quantum Monte Carlo description of normal and fully polarized liquid 3He.
Condensed Matter Theories 14, 409-418 (2000)

 

M. C. Gordillo, J. Boronat, J. Casulleras
A microscopic description of quantum fluids adsorbed in carbon nanotubes
Journal of Low Temperature Physics 121, 543-548 (2000)

 

J. Boronat, J. Casulleras
New perspectives in the application of the diffusion Monte Carlo method to the study of liquid 3He
in "Recent progress in Many-Body Theories X", eds. R.F. Bishop et al.
World Scientific, Singapore (2000), pp. 305-314.

 

Yu. N. Osetsky, D. J. Bacon, A. Serra, B. N. Singh, S. I. Golubov
Stability and mobility of vacancy and interstitial clusters in BCC and FCC metals.
Journal of Nuclear Materials 276, 65 - 77.(2000)

 

Yu. N. Osetsky, A. Serra, V. Priego
Interaction between interstitial clusters in Fe and Cu.
Journal of Nuclear Materials 276, 202 - 212 (2000)

 

S. I. Golubov, A. Serra, Yu. N. Osetsky, A. V. Barashev
On the validity of the cluster model to describe the evolution of Cu precipitates in Fe- Cu alloys
Journal of Nuclear Materials 277, 113 - 115 (2000)

 

D. J. Bacon, R. C. Pond, A. Serra
The structure of defects formed by absorption of crystal dislocations in interfaces in the hcp metals
Materials Research Society Symp. Proc. 578, 371 (2000)

 

Yu. N. Osetsky, D. J. Bacon, F. Gao, A. Serra, B. N. Singh
Study of loop-loop and loop-edge dislocation interactions in bcc iron
Journal of Nuclear Materials 283, 784-788 (2000)

 

Yu. N. Osetsky, A. Serra, B. N. Singh, S. I. Golubov


Structure and properties of clusters of self interstitials in bcc and fcc metals

Philosophical Magazine A

80

, 2131-2157 (2000)