• Computational study of nuclear magnetic shielding constants 

  Castro Aguilera, Abril Carolina (Data de defensa: 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 (Data de defensa: 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. ...
• Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds 

  Cassú Ponsatí, Daniel (Data de defensa: 20-04-2018)

  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 ...
• Cobalt-catalyzed C-H functionalization: from mechanistic studies to synthetic methodologies 

  Planas Fàbrega, Oriol (Data de defensa: 23-02-2018)

  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 ...
• High-valent iron complexes supported with tetradentate and pentadentate ligands based on the triazacyclononane scaffold 

  Sabeña Vila, Gerard (Data de defensa: 23-06-2017)

  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 ...

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