Now showing items 1-5 of 5

    • Dielectric properties of liquid ethanol: a computer simulation study 

      Saiz, L; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel (2000-08)
      Article
      Open Access
      Static and dynamic dielectric properties of liquidethanol have been studied as a function of the wave-vector number by computer simulation.Molecular dynamics simulations at room temperature have been performed using the ...
    • Ionic association of Na+-Cl-, Na+-Na+ and Cl--Cl- in methanol: mean force potentials and friction kernels 

      Sesé Castel, Gemma; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel (1995-08)
      Article
      Restricted access - publisher's policy
      Kinetic investigation of 1-octene bromination in AOT-isooctane-water microemulsions (13 = w = [H2O]/[AOT] = 24 and 6 = z = [IO]/[AOT] = 57) shows that the reaction is first-order in alkene and first-order in bromine, as ...
    • Molecular dynamics simulation of HCl in liquid Ar 

      Padro Cardenas, Joan Angel; Guàrdia Manuel, Elvira (1996-11)
      Article
      Restricted access - publisher's policy
      Molecular dynamics simulations of one HCl molecule in liquid Ar at three different thermodynamic states have been carried out. The dynamic properties of both the solute molecule and solvent atoms are discussed. Results for ...
    • Monte Carlo simulation of an ecosystem : a matching between two levels of observation 

      Giró Roca, Antoni; Padro Cardenas, Joan Angel; Valls Ribas, Joaquim; Wagensberg, Jorge (1984)
      External research report
      Open Access
      A Monte Carlo computer simulation is designed in order to describe the evolution of an ecosystem under imposed environmental conditions of energy. Some preliminar results of a simple situation show a suggestive matching ...
    • Structure and dynamics of liquid ethanol 

      Saiz, L; Padro Cardenas, Joan Angel; Guàrdia Manuel, Elvira (1997-01)
      Article
      Restricted access - publisher's policy
      Molecular dynamics simulations of liquid ethanol at four thermodynamic states ranging from T = 173 K to T = 348 K were carried out using the transferable OPLS potential model of Jorgensen (J. Phys. Chem. 1986, 90, 1276). ...