Listar TD-Ciencias por autor "Gomez Bengoa, Enrique"
Mostrando ítems 1-6 de 6
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A computational glance at organometallic cyclizations and coupling reactions
Fiser, Béla (2016-07-18)Organometallic chemistry is one of the main research topics in chemical science.Nowadays, organometallic reactions are the subject of intensive theoretical investigations.However, in many cases, only joint experimental and ... -
A Pd-Catalysed [4 + 2] Annulation Strategy to Densely Functionalised N-Heterocycles
Hoteite, Larry (2021-03-25)[EN]This thesis describes the synthesis of a library of novel sp3-rich N-heterocycles containing orthogonal functionality via a palladium-catalysed allylation-condensation sequence. The employment of a readily available ... -
Computational Methods Applied to Transition Metal Catalysis and Pericyclic Reactions
Sotorríos Manrique, Lia (2020-07-10)La presente tesis consiste en una serie de estudios realizados en el marco de la química computacional. La teoría del funcional de la densidad ha sido aplicada para la simulación de diversas reacciones químicas. Mediante ... -
Computational understanding of heterocyclisation reactions and synthesis of fluorinated isoquinolines
Zanella, Giovanna (2020-11-27)The present thesis deals with three different topics that have in common the formation of carbo- and heterocycles. The whole work is organized as a synergy of experimental and computational studies to provide a deep ... -
Enols and Allylic Alcohols as Building Blocks in Synthetic Organic Chemistry. Experimental and Theoretical Studies.
Carrretero Cerdán, Alba (2022-10-21)The presen thesis describes computational and experimental studies used to drive the reactivity o allylic and enol subtrates towards new transformations. These synthetic methods give access to a number of organic molecules ... -
Multicomponent Catalytic Reactions: Theoretical and Experimental Studies
Pauze, Martin Paul (2021-09-28)In this thesis, Density Functional Theory (DFT) methods have been applied to study the mechanisms of three different multicomponent organic reactions. Also, a new synthetic procedure for the preparation of quinolinium salts ...