Exploració per autor "Preat, Julien"
Ara es mostren els items 1-2 de 2
-
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'editorialThree 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. ... -
Response of crown ether functionalized polythiophenes to alkaline ions
Zanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos (2012-04-19)
Article
Accés obertThe sensing response of 15-crown-5-ether functionalized polythiophene to Li+, Na+, and K+ has been investigated at the atomistic level using molecular dynamics simulations. The stability associated with all the identified ...