Browsing by Author "Muñoz Páez, Adela"
Now showing items 1-13 of 13
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Article
Ab initio x-ray absorption study of copper K -edge XANES spectra in Cu(II) compounds
(American Physical Society, 2005)This work reports a theoretical study of the x-ray absorption near-edge structure spectra at the Cu K edge in several ...
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Article
Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems
(American Physical Society, 2001)Individual configurations obtained from molecular dynamics have been combined with the computation of x-ray absorption ...
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PhD Thesis
Control de la nanoestructura en capas esculturales preparadas mediante GLAD crecimiento y aplicaciones
(2013)En esta memoria se presenta un estudio sobre la caracterización y posibles aplicaciones de capas delgadas de óxidos ...
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Presentation
Coupling MD simulations and X-ray absorption spectroscopy to study ions in solution
(American Institute of Physics, 2007)The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among ...
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Article
Development of ReflEXAFS data analysis for deeper surface structure studies
(IOP Publishing Ltd., 2009)An analytical approach to the analysis of ReflEXAFS data collected from complex multilayer samples, at a range of angles ...
- PhD Thesis
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PhD Thesis
Modificaciones estructurales de largo y corto alcance en montmorillonitas intercaladas con Na(I),Li(I),Lu(III) y [Al13O4(OH)24(H2O)12]7+
(1994)Se ha estudiado la interacción de cationes trivalentes, Lu(III), y policationes, [Al13O4(OH)24(H2O)12]7+, con la RED del ...
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Article
Molecular-dynamics-based investigation of scattering path contributions to the EXAFS spectrum: The Cr3¿ aqueous solution case
(American Physical Society, 2001)Extended x-ray absorption fine structure spectra were computed based on molecular-dynamics (MD) struc- tural data of a [ ...
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Article
Polymorphic transformation from body-centered to face-centered cubic vanadium metal during mechanosynthesis of nanostructured vanadium nitride determined by extended x-ray absorption fine structure spectroscopy
(AIP Publishing, 2008)The pathway for vanadium nitride VN formation obtained by milling treatment has been traced out. At the initial stages ...
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Article
Study of lanthanum local structure in montmorillonite
(Japan Society of Applied Physics, 1993)The local structure of the interlamellar lanthanide ions in montmorillonite upon heating is studied. The analysis of the ...
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Presentation
The aquation of Po(IV): A quantum chemical study
(American Institute of Physics, 2007)The aim of this work is to present theoretical resuhs of the hydration of the Po(IV) in solution. Particular attention is ...
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Article
The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?
(American Institute of Physics Publising LLC, 2006)The long elusive structure of Cu(II) hydrate in aqueous solutions, classically described as a Jahn-Teller distorted ...
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Article
The interplay of the 3d9 and 3d10L electronic configurations in the copper K-edge XANES spectra of Cu(11) compounds
(International Union of Crystallography, 2006)A theoretical analysis of the X-ray absorption near-edge structure spectra at the Cu K-edge in several divalent copper ...