Listar Grau en Química por título
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Synthesis, characterization and microbiological analysis of hydroxyapatite doped with zinc
Universitat Jaume I (2018-09-28) -
Synthesis, characterization and microbiological analysis of Zn(II)-doped Hydroxyapatite
Universitat Jaume I (2019-07)There are several objectives pursued by this research work, prominent among these have been: - Synthesis of nanoparticulate stoichiometric hydroxyapatite (HAP) (Ca10(PO4)6(OH)2 using a chemical wet method (coprecipitation). - ... -
Synthetic approaches for the preparation of light-emitting diodes based on hybrid perovskites
Universitat Jaume I (2015-07-24)Hybrid halide perovskites have emerged as an appropriated active material in light emitting diodes (LEDs), mainly due to their high quantum photoluminescence yield and ambipolarity. In this context, our group have recently ... -
Synthetic route to a pincer-tweezer precursor
Universitat Jaume I (2020-06-26)The concept of molecular tweezer became popular due to their application in host-guest chemistry in the early 90s by Whitlock and co-workers. [1] A molecular tweezer may be defined as a molecular receptor containing two ... -
Temperature dependence of dynamic effects: the case of Escherichia coli Thymidilate Synthase
Universitat Jaume I (2016-07-22) -
Theoretical studies of simple organic reactions
Universitat Jaume I (2020-07-24)Computational chemistry is a tool that makes possible the resolution of chemical problems by means of the use of chemistry, mathematical calculations, and efficient computer programs based on the molecular theory of ... -
Theoretical studies on polymorphs of AgVO3 compounds
Universitat Jaume I (2018-09-28) -
Theoretical study of a Claisen reaction
Universitat Jaume I (2019-07)The main objective of the present work is to acquire new skills in computational chemistry. In particular, we pretend to be able to use the Gaussian09 program to study simple mechanisms of organic reactions. This implies ... -
Theoretical study of decomposition mechanism of Pyruvic Acid
Universitat Jaume I (2016-07-28)In this work, the decomposition reaction of pyruvic acid has been studied, some mechanisms are based on the proposal that Gabriel da Silva presents in its theoretical study of this decomposition process. The study has ... -
Theoretical study of inhibitors used in cancer inmunotherapy
Universitat Jaume I (2020-07-10)The work done consists in the modelling, using computational chemistry, of different possible inhibitors of one of the proteins, vascular endothelial growth factor receptor-2 (VEGFR-2), which is one of the systems ... -
Theoretical study of intramolecular [4 + 2] cycloadditions of iminoacetonitriles
Universitat Jaume I (2018-07)The aim of this project is to theoretically study the intramolecular cycloaddition of iminoacetonitriles (see Scheme 2), that is, a new class hetero Diels-Alder reaction. From these studies geometries and energies of ... -
Theoretical study of simple reaction mechanisms in the gas phase. Application to the decarbonylation of α-β-unsaturated aldehydes
Universitat Jaume I (2016-06-24) -
Theoretical study of the effect of pressure on the structure and properties of GeSe
Universitat Jaume I (2023-06-23)The aim of this project is the theoretical study, using Crystal software, of the effect of the pressure on the structure and properties of GeSe. -
Theoretical study of the high pressure effect in the crystalline structure and properties of the indium selenide
Universitat Jaume I (2019-07)The aim of this project is the theoretical study, using Crystal software, of the R3m (α) and P61 (γ) In2Se3 phases stability and properties under pressure. -
Theoretical study of the high-pressure effect in the cristalline structure and properties of the rhodium (III) sesquioxide
Universitat Jaume I (2020-07-10)Rhodium sesquioxide is the inorganic compound with the formula Rh2O3. It is a gray solid that is insoluble in ordinary solvents. It can be produced via several routes [1]: The most common route is treating RhCl3 with ... -
Theoretical study of the reaction mechanism catalyzed by vibrio cholerae sialidase
Universitat Jaume I (2018-07)The goal of this work is to study a part of the mechanism of the reaction executed by vibrio cholerae sialidase. The differnt stages that take place in the reaction will be study for it, with the aim of finding the various ... -
Theoretical study of the reaction mechanism of the decarboxylation of different substrates catalyzed by tartrate dehydrogenase
Universitat Jaume I (2017-09-28) -
Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary amines
Universitat Jaume I (2019-07)The objectives are the following: - Study the influence of the substituents in an aromatic nucleophilic substitution. - Study of the precision of the method used. - Obtain the rate constants and comparison with the ... -
Theoretical study of the Wittig reaction mechanism
Universitat Jaume I (2019-07)The study of a chemical reaction requires establishing its complete reaction mechanism and characterizing the species involved in it. This can be done by using both experimental and computational methods so, that the ... -
Theoretical study of TiO2 morphology
Universitat Jaume I (2016-06-24)