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Mostrando ítems 1-10 de 16
Artículo
Key Role of the Local Hydrophobicity in the East Patch of Plastocyanins on Their Thermal Stability and Redox Properties
(American Chemical Society, 2018)
Understanding the molecular basis of the thermal stability and functionality of redox proteins has important practical applications. Here, we show a distinct thermal dependence of the spectroscopic and electrochemical ...
Artículo
Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study
(American Chemical Society, 2018-02-22)
Hydrolysis of the Bi(III) aqua ion under a range of solution conditions has been studied by means of ab initio molecular dynamics simulations. While the Bi(III) aqua ion is stable in pure water, there is an increasing ...
Artículo
Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design
(The Royal Society of Chemistry, 2018)
In the last ten years, there has been an acceleration in the pace at which new catalysts for the watergas shift reaction are designed and synthesized. Pt-based catalysts remain the best solution when only activity is ...
Artículo
Empleo de fichas dirigidas para la mejora en el aprendizaje de las asignaturas Técnicas Instrumentales y Fisicoquímica
(Universidad de Sevilla, 2018)
Las asignaturas del área de Química Física del Grado en Farmacia, entre las que se encuentran Técnicas Instrumentales (2º curso, 2º cuatrimestre) y Fisicoquímica (1er curso, 2º cuatrimestre), ambas de carácter obligatorio, ...
Artículo
Halide encapsulation by dicarboxylate oxido-vanadium cage complexes
(The Royal Society of Chemistry, 2018)
Compounds [Bu4N]2[V8O16(oda)4⊂2Cl], 1, [Bu4N]2[V8O16(glut)4⊂2Cl], 2, and [Bu4N][V4O8(glut)2⊂F], 3, (oda = oxydiacetate, O(CH2COO)2 2−; glut = glutarate, CH2(CH2COO)2 2−) were obtained by a stepwise reaction of in situ ...
Artículo
Chemistry Laboratory in Graduate Projects
(Scientific & Academic Publishing, 2018)
Tesis Doctoral
Artículo
On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study
(American Chemical Society, 2018)
Using near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, the carbon backbone of sodium copper chlorophyllin (SCC), a widely used chlorophyll derivative, and its breakdown products are analyzed to elucidate ...
Artículo
Light-induced spin transitions in copper-nitroxide-based switchable molecular magnets: insights from periodic DFT+U calculations
(Wiley, 2018)
The electronic structure and magnetic interactions of three representative members of the breathing crystal Cu(hfac)2LR family, mainly Cu(hfac)2LPr (1), Cu(hfac)2LBu·0.5C8H18 (2) and Cu(hfac)2LBu·0.5C8H10 (3), have been ...
Artículo
In situ surface-enhanced infrared spectroscopy study of adenine-thymine co-adsorption on gold electrodes as a function of the pH
(Elsevier, 2018-06-15)
In situ attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS) has been used to study the co-adsorption of adenine and thymine on gold nanostructured electrodes from D2O and H2O solutions ...