Universitat de Barcelona
Now showing items 41-60 of 77
The electrodeposition is a technique that day by day is gaining positions among the mainly employed physical methods. This is due to the fact that electrodeposition shows some advantages over the physical techniques such ...
L’obtenció de recobriments compòsits mitjançant la incorporació de partícules en una matriu determinada ha conduit a una nova generació de materials amb unes propietats particulars, depenent tant de la naturalesa de la ...
Aquesta tesi doctoral s'emmarca dins de la Química Computacional. Usant el procediment de Primers Principis Bottom-Up, es pot relacionar les propietats magnètiques microscòpiques d'un cristall moleculars (interaccions ...
La medicina personalitzada i les teràpies dirigides són, avui dia, estratègies emergents en les companyies farmacèutiques. L’objectiu global, a llarg termini, és desenvolupar tractaments dirigits cap a mecanismes moleculars ...
The elementary processes of atomic and molecular oxygen over the solid surfaces of graphite and β–cristobalite have been studied theoretically. The aim of the study is to widen the knowledge about the behaviour of materials ...
Enzymes are the most proficient catalysts that evolution has developed to assist the chemical reactions that make life possible. By means of molecular simulations the present thesis addresses three aspects of fundamental ...
Electrodeposition involves chemical phenomena associated with charge separation and transfer that can occur homogeneously in solution, or heterogeneously over electrode surfaces. In order to assure electroneutrality at ...
Aquesta tesi doctoral tracta diversos àmbits de la química enfocats des de la perspectiva teòrica, sense perjudici de la referència experimental a la que es fa referència quan és possible. L'enfocament generalitzat ...
SUMMARY: advanced oxidation processes are nowadays, an effective treatment for waste water polluted with agrochemicals or persistent pollutants, and also are environmentally friendly methods. In the present thesis three ...
En la presente tesis doctoral se han aplicado herramientas quimiométricas en el estudio y optimización de los parámetros implicados en la electrodeposición de metales y aleaciones mediante pulsos de corriente, centrando ...
Els rotors, motors i engranatges moleculars són molècules o sistemes moleculars que tenen com a característica que presenten moviments conformacionals de gran amplitud, majoritàriament associats a rotacions internes al ...
Esta tesis doctoral versa sobre el tratamiento de aguas contaminadas con fármacos sulfamidas como el ácido sulfanílico (SA), la sulfanilamida (SNM) y la sulfametazina (SMZ). Estos compuestos se han degradado en una disolución ...
Los sulfuros de metales de transición exhiben una amplia variedad de propiedades eléctricas y magnéticas que los hacen interesantes tanto en el ámbito científico como en el de las aplicaciones tecnológicas. En este trabajo ...
This thesis focuses on the computational study of models for platinum catalysts supported on cerium oxide (CeO2) which are of technological relevance. In these catalysts, ceria is often found acting as a non-inert support, ...
Throughout this thesis, we have studied ZnO and its properties in a bottom-up manner through a dimensionality range starting from 0D nanoparticles to 3D bulk phases. For the 0D clusters and the 2D nanofilms studied we also ...
Iso-chloropropane dehydrohalogenation processes by alkali ion collisions (Li, Na and K) have been studied from a theoretical and an experimental point of view. Both methods have detected the following channels:(1): C(3)H(7)Cl ...
El principal objetivo de esta tesis ha sido el estudio de la aplicabilidad de procesos electroquímicos de oxidación avanzada (EAOPs) al tratamiento de aguas contaminadas con productos orgánicos persistentes. Los resultados ...
It is well established that organic radical-anions, such as reduced tetracyanoethylene (i.e., [TCNE]•(-)), may form dianionic dimers exhibiting long, multicenter bonding. This bond arises from the overlap of the b(2g) SOMOs ...
In this thesis, several physico-chemical phenomena occurring at the two-dimensional environment of a Langmuir monolayer are studied. In the first section, the characterization of Langmuir monolayers of an azobenzene ...
Molecular materials have raised much interest in the last decades in the quest for new multifunctional devices. Among the multiple properties that those materials may present, one of the most typical is magnetism, which ...
