Tesis doctorals (D-Q)

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Jerarquia  ​

Development of novel computational protocols for the design of efficient enzymes

Thesis open access ​

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Bio-inspired manganese-catalyzed asymmetric C-H oxidation: chiral pool expansion and predictive data analysis

Thesis embargoed access ​

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Towards the conjugation of plant defence elicitor sequences, metal complexes, polyphenols and bicyclooctanes to biologically active peptides. Design, synthesis and structural elucidation

Thesis embargoed access ​

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Exploring the reactivity of in situ generated metal vinylcarbenes

Thesis embargoed access ​

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Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes

Thesis open access ​

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Oriented external electric fields in chemistry: development and application of new methods to simulate molecular response properties and reactivity

Thesis embargoed access ​

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Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies

Thesis open access ​

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Development of flexible cavitand receptors based on calix[5]arene. Rational design, synthesis and study of their properties

Thesis embargoed access ​

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Gold complexes based on (N,C) and (N,C,C) chelating ligands: ligand design and reactivity studies in cross-coupling catalysis

Thesis open access ​

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Multiscalar strategies for the characterization of engineered P450 enzymes

Thesis open access ​

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Implementing amino acids in manganese-catalyzed biologically inspired oxidations: g-lactonization and ligand design

Thesis open access ​

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Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes

Thesis open access ​

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Rhodium-catalyzed cyclization reactions of 1,5-bisallenes involving alkenes and alkynes: experimental and theoretical studies

Thesis open access ​

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Development and application of new methodologies for chemical bonding analysis

Thesis open access ​

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Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis

Thesis open access ​

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

Thesis open access ​

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Chelation-assisted metal-catalyzed functionalization of strong Csp2-H/Heteroatom bonds: trapping intermediate species and unveiling mechanistic details

Thesis open access ​

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Computational studies of epoxide hydrolase-catalyzed ring-opening reactions

Thesis open access ​

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Bioinspired ligands and model substrates for the mechanistic elucidation of oxygen activation and cross-coupling reactions mediated by first-row transition metals

Thesis open access ​

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Carborane compounds as efficient light-driven in oxidation catalysis

Thesis open access ​

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Enzymatic and bioinspired iron oxidation chemistry: a computational study

Thesis open access ​

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Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts

Thesis open access ​

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Small-molecule mimics of rieske oxygenases. Application to selective aliphatic C-H hydroxylation and olefin syn-dihydroxylation

Thesis open access ​

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Characterization of adsorption processes for the removal of metal ions from waste effluents using biosorbents and graphene-based sorbents. Studies in Batch and in fixed-bed column

Thesis open access ​

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