Browsing by Author "Rodríguez Ropero, Francisco"
Rodríguez Ropero, Francisco (Universitat Politècnica de Catalunya, 2009-12-14)
Rodríguez Ropero, Francisco; Zanuy Gomara, David; Alemán Llansó, Carlos (2010-01)
Restricted access - publisher's policyThe molecular and electronic structure of all-thiophene dendrimers in both the neutral and oxidized states have been investigated performing quantum mechanical calculations on systems of up to 30 rings. Results evidenced ...
Preat, Julien; Rodríguez Ropero, Francisco; Torras Costa, Juan; Bertran Cànovas, Òscar; Zanuy Gomara, David; Alemán Llansó, Carlos (2010-06)
Restricted access - publisher's policyThree different strategies have been followed to develop the torsional force-field parameters of the interring dihedral angles for calixarene-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)
Restricted access - publisher's policyDensity 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 ...