Browsing Química Física by Title
Now showing items 176-195 of 358
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Article
How complex-surface interactions modulate the spin transition of Fe(II) SCO complexes supported on metallic surfaces?
(Royal Society of Chemistry, 2023-07-31)The deposition of a prototypical spin-crossover [Fe(phen)2(NCS)2] complex on Au(111), Cu(111) and Ag(111) surfaces has ...
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Article
Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites
(Hindawi, 2017)The effect of the incorporation of into the CH3 sites of the tetragonal perovskite CH3NH3PbI3 is analysed. Also, how it ...
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Article
Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential
(ACS, 2017-10-20)Permanent geological repositories lined with bentonite, a montmorillonite-containing clay, is one of the options considered ...
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Article
Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
(American Chemical Society, 2021)The physicochemical properties of the three heaviest alkaline-earth cations, Sr2+, Ba2+, and Ra2+ in water have been studied ...
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Article
Hydration Structure of the Elusive Ac(III) Aqua Ion: Interpretation of X-ray Absorption Spectroscopy (XAS) Spectra on the Basis of Molecular Dynamics (MD) Simulations
(American Chemical Society, 2019)Knowledge of actinoid solution chemistry hasbeen enriched with the recent synthesis and characterizationof the elusive ...
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Article
Identifying Coordination Geometries of Metal Aquaions in Water: Application to the Case of Lanthanoid and Actinoid Hydrates
(American Chemical Society, 2016)The angular distribution function (ADF) associated with the oxygen-metal ion-oxygen angle (OMO) of several trivalent ...
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Article
Impact of the number of fitted Debye-Waller factors on EXAFS fitting
(IOP Publishing, 2013)EXAFS fit applied to asymmetric systems may imply the fit of parameters for many scattering paths. We illustrate on some ...
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Article
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 ...
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Article
In situ Fourier transform infrared reflection absortion spectroscopy study of adenine adsorption on gold electrodes in basic media
(Elsevier, 2014)Summary In situ Fourier transform infrared reflection absortion spectroscopy (FT-IRRAS) has been used in the external ...
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Article
In situ surface enhanced infrared absorption spectroscopy study of the adsorption of cytosine on gold electrodes
(Elsevier, 2019-09-15)The structural facilities provided by the ‘in situ’ Surface-Enhanced Infrared Absorption Spectroscopy in the Attenuated ...
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Article
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 ...
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Article
Induction of Apoptosis and Cell Cycle Arrest in Human Colon Carcinoma Cells by Corema album Leaves
(SAGE Publications, 2014)The leaves of Corema album (Ericaceae), an endemic shrub which grows in Atlantic coastal areas of the Iberian Peninsula, ...
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Article
Influence of temperature on the interaction between Pd clusters and the TiO2 (110) surface
(American Physical Review, 2007-08-06)The behavior of a Pd nanocluster on the rutile TiO2 (110) surface has been analyzed by extensive first principles molecular ...
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Article
Influence of the AOT Counterion Chemical Structure on the Generation of Organized Systems
(American Chemical Society, 2020)The impact of the imidazolium counterion structure on the organized systems formed by the surfactant 1,4-bis-2-ethylhexylsulfosuccinate, ...
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Article
Influence of the surfactant degree of oligomerization on the formation of cyclodextrin: surfactant inclusion complexes
(Elsevier, 2020)Supramolecular complexation is an attractive strategy to modulate the performance of surfactants, e.g., by host-guest ...
- PhD Thesis
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PhD Thesis
Influencia del medio en la reacción de oxidación del Ioduro con peroxidisulfato
(1983-09-22)Aunque los efectos del disolvente sobre la reactividad q uímica son conocidos desde el siglo pasado, no existen métodos ...
- PhD Thesis
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PhD Thesis
Interacciones por puente de hidrógeno y reacciones de transferencia protónica de la betacarbolina, 9H-Pirido (3,4-B)indol, y de sus derivados n-metilados con 1,1,1,3,3,3-hexafluoro-2-propanol en medios apróticos
(2007)Los resultados de nuestro estudio ponen claramente de manifiesto la compleja fotofísica del anillo de betacarbolina. Por ...
- PhD Thesis