Font Molins, Marc (Date of defense: 2015-02-13)
Aryl-Cu(III) species have been often implicated as the intermediate species that operate Ullmann-type couplings. However, such species have long remained elusive and the fundamental pathways that govern ...
Postils Ribó, Verònica (Date of defense: 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 ...
Čelić, Mira (Date of defense: 2020-12-15)
The main objective of this thesis is to evaluate the impact of wastewater discharges on receiving riverine and coastal ecosystems by studying the occurrence and fate of emerging contaminants (ECs). Since ...
El Hamdi Lahfid, Majid (Date of defense: 2013-10-15)
Structural isomers are molecules that have the same number and type of atoms but arranged in different manner. The isomerization energy is the energy difference between two isomers, i.e. the energy cost ...
Ferre Malagon, Rafael (Date of defense: 2010-07-23)
Aquesta tesi doctoral està basada en el desenvolupament de nous agents antimicrobians derivats del pèptid híbrid cecropina A-melitina WKLFKKILKVL-NH2 (Pep3) que siguin sostenibles i útils per al control ...
Cases Amat, Montserrat (Date of defense: 2003-09-30)
Des del seu descobriment, a la molècula C60 se li coneixen una varietat de derivats segons el tipus de funcionalització amb propietats fisicoquímiques específiques de gran interès científic. Una sel·lecció ...
Jaén Gil, Adrián (Date of defense: 2021-05-28)
The low efficiency of wastewater treatment plants to achieve the complete removal of micropollutants, including pharmaceuticals, has motivated the development of alternative water technologies to improve ...
Vila Vadrí, Jordi (Date of defense: 2023-04-21)
The development of novel catalytic methodologies involving the formation of carbon – carbon/heteroatom bonds to produce cyclic systems constitutes a field of great interest in the modern synthetic organic ...
Curado Carballada, Christian (Date of defense: 2023-03-13)
Enzymes have evolved through years until becoming great catalysts that present high selectivity, specificity, and activity. Initially, enzymes were understood as static (bio)molecular structures capable ...
Gimferrer Andrés, Martí (Date of defense: 2023-03-27)
In the last decades, electronic structure methods have been crucial for chemists to achieve deeper insight into chemistry itself and to make predictions before performing the actual experiments. The ...