Browsing Institut de Química Computacional i Catàlisi (2013- ) by Title

Now showing items 44-46 of 46

Synthesis and applications of large supramolecular nanocapsules: matryoshka-type masks, higher fullerene C84 purification and stabilization of metallic clusters and sub-nanoparticles

Ubasart Clarà, Ernest (Date of defense: 2022-10-28)

The development of supramolecular assemblies with big cavities is important to recognize specific guests or infer a chemo- or regioselective chemistry, in analogy to natural enzymes. The objective of this thesis was to ...

Synthesis of molecular nanocapsules for supramolecular host-guest chemistry and enzyme-like catalysis

García Simón, Cristina (Date of defense: 2015-04-10)

Coordination-driven self-assembly has led to the realization of an increasing number of elegant and sophisticated functional structures, the structural complexity of which would be difficult to achieve using conventional ...

Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts

Acuña-Parés, Ferran (Date of defense: 2016-07-20)

One of the major current scientific goals is the development of renewable energy sources. An effective alternative to fossil fuels consists in the conversion of the sunlight energy into chemical fuels. The molecular hydrogen ...