• Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s 

      Preat, Julien; Rodríguez Ropero, Francisco; Torras Costa, Juan; Bertran Cànovas, Òscar; Zanuy Gomara, David; Alemán Llansó, Carlos (2010-06)
      Article
      Accés restringit per política de l'editorial
      Three different strategies have been followed to develop the torsional force-field parameters of the interring dihedral angles for calix[4]arene-substituted poly(thiophene)s, a family of highly sensitive ion receptors. ...
    • Properties of oligothiophene dendrimers as a function of molecular architecture and generation number 

      Córdova Mateo, Esther; Rodríguez Ropero, Francisco; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2012-04-10)
      Article
      Accés restringit per política de l'editorial
      Density functional and time-dependent density functional calculations using the B3LYP method combined with the 6-31G(d) and 6-311++G(d,p) basis sets are performed on symmetric and unsymmetric all-thiophene dendrimers ...