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Title: | Response of crown ether functionalized polythiophenes to alkaline ions |
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Author: | Zanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos |
Other authors: | Universitat Politècnica de Catalunya. Departament d'Enginyeria Química; Universitat Politècnica de Catalunya. IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials |
Abstract: | |
Abstract: | |
Subject(s): | -Àrees temàtiques de la UPC::Enginyeria química -Molecular dynamics -Polymers -Alkaline cations -Alkaline ions -Atomistic levels -Binding process -Bound state -Counterions -Electrostatic repulsion -Entropic contributions -Free state -Functionalized -Macrocycles -Molecular dynamics simulations -Poly-thiophene -Polythiophene derivatives -Quantum mechanical levels -Quantum-mechanical calculation -Relative entropy -Repeating unit -Selective sensing -Sensing response -Dinàmica molecular -- Simulació per ordinador -Polímers |
Rights: | Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
Document type: | Article - Published version Article |
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