Browsing by Author "Padro Cardenas, Joan Angel"
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Dielectric properties of liquid ethanol: a computer simulation study
Saiz, L; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel (2000-08)
Article
Open AccessStatic 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 policyKinetic 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 policyMolecular 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 Lubinski, Jorge (1984)
Research report
Open AccessA 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 policyMolecular 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). ...