Now showing items 1-7 of 7

  • 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, ...
  • Incorporació de sistemes de resposta interactiva a la docència presencial 

    Sánchez Carracedo, Fermín; Fonseca, Pau; Delgado Mercè, Jaime; Llorente Viejo, Silvia; Cerda, Llorenç; Llosa Espuny, José Francisco; Álvarez, Carlos; Sesé Castel, Gemma; Bravo Amella, Hector; Moralhelche Piulachs, Jordi (Universitat Politècnica de Catalunya. Institut de Ciències de l'Educació, 2010-02-11)
    Conference lecture / Conference report
    Open Access
    Aquest projecte, de Suport a la Docència, consisteix en la incorporació d’uns comandaments amb botons del 0 al 9 a les classes per tal de donar suport als professors a les seves classes i, d’aquesta manera, avaluar els ...
  • Influence of hydrogen bonds and temperature on dielectric properties 

    Ortiz de Urbina Viade, Jordi; Sesé Castel, Gemma (2016-07-06)
    Article
    Open Access
    Dielectric properties are evaluated by means of molecular dynamics simulations on two model systems made up of dipolar molecules. One of them mimics methanol, whereas the other differs from the former only in the ability ...
  • 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 ...
  • 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 ...
  • Una propuesta de mentoría académica entre iguales para el Grado en Ingeniería Informática 

    Abad Soriano, María Teresa; Sesé Castel, Gemma; Fernández Ruzafa, José (Asociación de Enseñantes Universitarios de la Informática (AENUI), 2019)
    Conference report
    Open Access
    En este trabajo presentamos la organización y desarrollo de un programa de mentoría académica entre iguales, Aula Lliure, y algunos de sus resultados, por el momento todavía escasos pero prometedores. Inspirado en ...