Lafuente Hernández, Mª Pilar (Date of defense: 2016-12-21)
The objective of this PhD thesis has been the study of the mechanisms that stabilize high-spin states in organic molecule-based magnetic materials. These materials require organic radicals with permanent ...
Blanco, Pablo Miguel (Date of defense: 2020-11-25)
I have carried out this thesis in the Biophysical Chemistry of Macromolecules and Colloids research group of the University of Barcelona. In the recent years, the research group have made significant ...
Posada Pérez, Sergio (Date of defense: 2018-03-12)
Our society has a problem with the use of fossil fuels, due to the vast and exceeding emissions derived from human activities. Two ways could be consider to mitigate these harmful effects. On the one ...
Lamiel Garcia, Josep Oriol (Date of defense: 2017-09-27)
En aquesta tesi s’han realitzat càlculs DFT per tal d’estudiar els sistemes TiO2 i ZnO i poder analitzar-ne les característiques de l’estructura electrònica, geometria i estabilitat energètica principalment. ...
Macià Escatllar, Antoni (Date of defense: 2020-09-04)
The research presented in this thesis contributes to the understanding of both titania and silicate nanosystems by providing new information on energetic stability and properties of nanometer sized ...
Mondelo-Martell, Manel (Date of defense: 2018-06-18)
Quantum confinement effects, understood as the changes on the structure and dynamics of a molecule when it goes from a free environment to a cavity with some characteristic length of the order of the ...
Alonso Benito, Gerard (Date of defense: 2019-11-29)
Two main topics are treated in this doctoral thesis from a theoretical and computational point of view: the gas capture and separation from post-combustion flue gases, and the enhanced oil recovery from ...
Prats Garcia, Hèctor (Date of defense: 2019-03-25)
The research work presented in this thesis is divided in two main topics: gas separation and heterogeneous catalysis. Although the systems studied in one part and another are quite different, they share ...