Mostrando ítems 41-60 de 144
Vidal Sánchez, Diego (Fecha de defensa: 2019-07-24)
The oxidation of hydrocarbons under soft and selective conditions is a reaction almost exclusively produced under these conditions by enzymes. A lot of these enzymes, posses iron in their metal center, responsible for the ...
Verkh, Yaroslav (Fecha de defensa: 2019-01-28)
Individual hazardous chemicals and substance mixtures with synergistic toxicity ef-fects occur in the dissolved organic matter (DOM) of wastewater and negatively im-pact human health. Yet a large number of chemicals and ...
Vera Chamorro, Ruben (Fecha de defensa: 2019-03-15)
Water is essential for humankind not only for its direct consumption but also for its multiple applications in industry or agriculture, among others. The presence of undesirable substances or pollutants directly affects ...
Clarasó Petit, Carlota (Fecha de defensa: 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 exquisite regio- ...
Milan, Michela (Fecha de defensa: 2018-10-30)
The oxidation of aliphatic C-H bonds is a very powerful reaction because it allows the functionalization of inert C-H bonds, converting them into a suitable sites for further chemical elaboration. It also represents one ...
Serra Parareda, Jordi (Fecha de defensa: 2018-06-21)
Most of the different homogeneous reactions catalyzed by gold have been developed in the past fifteen years and stem from the ability of both Au(I) and Au(III) complexes to coordinate and activate multiple carbon-carbon ...
Rodríguez Mayorga, Mauricio (Fecha de defensa: 2018-07-24)
In this thesis, we focused on the alternative methodologies that are based on the reconstruction of density matrices. While in DFT several benchmarks can be found in the literature, for the rest of alternative methodologies ...
Postils Ribó, Verònica (Fecha de defensa: 2018-05-07)
In this thesis, the three constituent areas of chemistry (in agreement with Jensen's quotation in his "Introduction to Computational Chemistry" book), which are construction, transformation, and properties of molecules, ...
Castro Aguilera, Abril Carolina (Fecha de defensa: 2017-11-17)
Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable structural tool in the modern analytical arsenal of chemists and structural biologists. The present thesis is a computational study of the NMR shift constants ...
El Bakouri El Farri, Ouissam (Fecha de defensa: 2017-11-22)
Aromaticity is a key concept in chemistry, used by chemists to explain the structure, stability, and reactivity of many compounds. Aromatic compounds are present in industrial processes as well as in living systems. ...
Cassú Ponsatí, Daniel (Fecha de defensa: 2018-04-20)
Transition metal-catalysed [2+2+2] cycloaddition reactions involving unsaturated substrates represent one of the most elegant methods in organic chemistry to prepare functionalised cyclic compound. This doctoral thesis is ...
Planas Fàbrega, Oriol (Fecha de defensa: 2018-02-23)
This Ph.D. dissertation describes the synthesis and characterization of bench-top stable aryl-Co(III) organometallic species using commercially available cobalt(II) salts and a macrocyclic model substrate. Special attention ...
Sabeña Vila, Gerard (Fecha de defensa: 2017-06-23)
In this work we have prepared octahedral non - heme iron species in high oxidation states. Iron (IV) - oxo and iron (IV) - imido complexes based on triazacyclononane scaffold had been synthesised and all of them had been ...
Vieta i Corcoy, Pep Anton (Fecha de defensa: 2017-02-07)
Throughout this thesis I was involved in different science communication projects where research and innovation have been applied to improve existing proposals and exploring new formats without forget the evaluation of the ...
Garcia Rodríguez, Aida (Fecha de defensa: 2016-09-23)
Emerging organic contaminants (EOCs), like pharmaceuticals and endocrine disrupting compounds, are continuously introduced into the environment. Some 2/2 have been found in water bodies, posing a risk on human health and ...
Rovira Coll, Mireia (Fecha de defensa: 2017-03-10)
Organometallic aryl-CuIII species have been proposed as key intermediates in Ullmann-type reactions. However, such species have long remained elusive and mechanistic investigations of a plausible catalytic cycle remained ...
Torres Antón, Òscar (Fecha de defensa: 2017-02-24)
Some of the most powerful methods for synthesizing complex organic molecules with high levels of chemo-, diastereo- and enantioselectivity rely on metal carbene chemistry. These compounds are versatile reaction intermediates ...
Corona Prieto, Teresa (Fecha de defensa: 2017-02-17)
The transformation of C-H bonds into C-O/N bonds is a process of interest in organic synthesis, but controlling the reactivity and selectivity among the multiple C-H bonds existing in most molecules is a challenging task. ...
Ferrando Climent, Laura (Fecha de defensa: 2016-11-28)
In order to evaluate the increasing environmental and human risk of anticancer drugs in the environment, more information needs to be gathered about their presence, their toxicity, bioaccumulation and persistence. In ...
Martínez López, Juan Pablo (Fecha de defensa: 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 problems such as ...