Ruiz-Barragán, Sergi (Date of defense: 2014-09-19)
Conical Intersections (CI) are points in Potential Energy Surfaces (PES) of two or more states that have the same energy. They are fundamental to understand photo-chemical processes. These points are ...
Gusmaroli, Lucia (Date of defense: 2020-05-25)
The presence of xenobiotics - such as pharmaceutically active compounds, endocrine disrupting compounds and pesticides - in the aquatic environment has risen great environmental concern due to their ...
Roldán Gómez, Steven (Date of defense: 2020-01-14)
During the last decades, computational chemistry has become a resourceful tool in the quest to understand and predict the mechanism and the reactivity of chemical systems. This is especially true in ...
Clarasó Petit, Carlota (Date of defense: 2019-02-08)
Metalloenzymes are a fundamental source of inspiration for synthetic chemists. Oxidation metalloenzymes catalyze oxidation reactions with high efficiency under very mild experimental conditions exhibiting ...
Martínez López, Juan Pablo (Date of defense: 2016-11-18)
The physical and chemical properties of fullerenes and nanotubes can be conveniently tuned by the attachment of different functional groups to them. Therefore, the systematic understanding of different ...
Borrell Recasens, Margarida (Date of defense: 2021-11-05)
Oxidations are an important kind of reactions which are traditionally performed using stoichiometric oxidants that generate a large amount of waste. Syn-dihydroxylation of alkenes is a paradigmatic ...
D'Amore, Lorenzo (Date of defense: 2021-12-10)
The oxidative activation of C(sp3)–H bonds under ambient conditions represents a challenge to modern chemistry, nevertheless it is commonly operated in Nature by various oxygenases in key metabolic ...
Arbusé Font, Arnau (Date of defense: 2020-11-12)
Macrocyclic ligands and its complexes have been studied in a wide variety of fields, among them bioinorganic chemistry. In this work it is reported three studies of macrocyclic species under three ...
Ferrer Vall-llosada, Íngrid (Date of defense: 2015-07-16)
In this thesis we present the synthesis and characterization of different types of ruthenium complexes containing N-donor ligands together with dmso, Cl and H2O ligands, along with their complete ...
Mallek, Maryam (Date of defense: 2018-10-25)
Solid-phase microextraction (SPME) allow the achievement of high enrichment levels by using small volumes of solvents, enabling the low detection limits required for the determination of ketoprofen, ...