Hervés Carrete, Carmen (Date of defense: 2023-05-24)
[eng] The main objective of this dissertation has been to stablish a bridge between materials science and its fields of application. The scope of this thesis work, under this premise, is aimed towards ...
Atcher Ubiergo, Joan (Date of defense: 2015-07-28)
Dynamic combinatorial chemistry proposes the creation of a library of compounds (dynamic combinatorial library, DCL) inter-connected through reversible chemical processes. The concentrations in a DCL ...
Balaceanu, Alexandra (Date of defense: 2018-12-12)
1. The Force Field Accuracy Problem. The utility and applicability of MD simulations to model biomolecular systems goes only as far as its ability to sufficiently sample the conformational space and ...
Schirinzi, Gabriella Francesca (Date of defense: 2020-06-10)
In recent decades, global plastics production and consumption have continued to increase. Although many policy strategies on waste prevention and recycling have been implemented, much of the plastic ...
Figueras Valls, Marc (Date of defense: 2021-12-14)
Over the recent decades, several studies revealed the precarious climate situation which is threatening all Life forms on earth, including mankind, even if sometimes we tend to ignore the actual fragility ...
Bazyaran, Fatemeh (Maryam) (Date of defense: 2019-04-01)
The main objective of this research work was to produce environmentally friendly cermets coatings, Ni and Co free matrix, alternative to conventional WC- Co, by thermal spray processes. WC-Co cermets ...
Piñero Vargas, Juan José (Date of defense: 2021-12-15)
The work carried out in this thesis is based on the study of transition metal carbides (TMCs) as catalysts study from a theoretical point of view, using the techniques of Computational Chemistry. TMC ...
López Berbel, Martí (Date of defense: 2023-03-03)
[eng] Transition metal carbides (TMCs) have acquired a wide potential as a green chemistry catalysts. Their relatively high abundance and their catalytic performance makes them great candidates to replace ...
Sandoval-Salinas, María Eugenia (Date of defense: 2021-02-15)
The principal aim of this thesis is the understanding of the electronic structure of organic diradical and polyradical molecules. Unveiling the properties that give them the electronic, magnetic, and ...
Mayans Ayats, Júlia (Date of defense: 2018-12-14)
This PhD thesis has been developed in the Molecular Magnetism Group of the University of Barcelona. As its name indicates, the Molecular Magnetism Group is mostly interested in the magnetic study of ...