• Computational studies of enzymatic and biomimetic catalysts 

  Romero Rivera, Adrian (Date of defense: 18-12-2018)

  Enzymes are the most efficient biocatalysts in Nature. However, biocatalysts in general are not capable of catalyzing reactions for industrial purposes. Hence, biocatalysts need to be engineered by introducing mutations ...
• Gold complexes for homogeneous cross-coupling catalysis and migratory insertion reactions 

  Serra Parareda, Jordi (Date of defense: 21-06-2018)

  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 ...
• New challenges in Rh(I)-catalysed [2+2+2] cycloaddition reactions 

  Fernández Wang, Martí (Date of defense: 20-07-2017)

  This doctoral thesis studies the involvement of challenging unsaturated substrates in the transition-metal catalysed [2+2+2] cycloaddition reaction, as well as new catalytic systems for the reaction. First, Morita-Baylis-Hillman ...
• Computational study of nuclear magnetic shielding constants 

  Castro Aguilera, Abril Carolina (Date of defense: 17-11-2017)

  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 ...
• Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity 

  El Bakouri El Farri, Ouissam (Date of defense: 22-11-2017)

  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. ...

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