Now showing items 1-3 of 3

    • Free energy and entropy of a dipolar liquid by computer simulations 

      Palomar, Ricardo; Sesé Castel, Gemma (2018-02-27)
      Article
      Open Access
      Thermodynamic properties for a system composed of dipolar molecules are computed. Free energy is evaluated by means of the thermodynamic integration technique, and it is also estimated by using a perturbation theory approach, ...
    • Microscopic dynamics of supercooled low weight alcohols 

      Palomar, Ricardo; Sesé Castel, Gemma (American Institute of Physics (AIP), 2010-07-28)
      Article
      Restricted access - publisher's policy
      Dynamical properties of low weight alcohols have been analyzed both in the liquid and the supercooled states. Realistic interatomic potential models for methanol and ethanol have been used. The influence of temperature on ...
    • Rotational dynamics of a dipolar supercooled liquid 

      Sesé Castel, Gemma; Ortiz de Urbina Viade, Jordi; Palomar, Ricardo (2012-09-17)
      Article
      Open Access
      We study the rotational dynamics of a supercooled molecular liquid by means of molecular dynamics simulations. The system under investigation is composed of rigid diatomic molecules with an associate dipole moment. At room ...