MUÑOZ PÁEZ , Adela

There is no other woman in the history of science better known than Marie Curie. She was the first woman Professor at the Sorbonne, the University of Paris, after more than six hundreds years, the first woman to obtain a Nobel Prize, the first scientist to obtain a second. But above all these honours, Marie was a passionate person, whose...

Esta es la cuarta parte de un trabajo sobre las mujeres que han recibido reconocimientos por su trabajo químico. Se inició en el número uno de esta revista del año 2013 como una editorial (Muñoz-Páez y Garritz, 2013a) y continuó como una segunda parte abriendo la sección MUJERES Y QUÍMICA (Muñoz-Páez y Garritz, 2013b). Ulteriormente, Muñoz-Páez...

This is the second part of a set of papers devoted to the participation of women in chemistry. The first part was written as the Editorial of the January-2013 issue of this Journal. We were going to cover now more than three centuries in this delivery, but there is a huge amount of material and few pages to deal with such a high number of...

Little has been written about the exquisite passion of discovering. This has been the main driving force of the greatest scientists — with the masculine gender — that have been in the world. But what happened with the participation of women? Does science have male gender? It seems it has, but although a careful examination of history reveals...

A theoretical analysis of the X-ray absorption near-edge structure spectra at the Cu K-edge in several divalent copper [Cu(II)] compounds showing a distorted nearest-neighborhood around copper is presented. The experimental spectra of CuO and KCuF3 have been compared with computations performed in the framework of the multiple-scattering...

This work reports a theoretical study of the x-ray absorption near-edge structure spectra at the Cu K edge in several Cu(II) complexes with N -coordinating ligands showing a square-planar arrangement around metal cation. It is shown that single-channel multiple-scattering calculations are not able to reproduce the experimental spectra. The...

Individual configurations obtained from molecular dynamics have been combined with the computation of x-ray absorption near-edge structure (XANES) spectra to obtain a theoretical estimation of the spectrum corresponding to a system in a condensed medium lacking long-range order. The influence of the different geometries on the spectrum is...

The long elusive structure of Cu(II) hydrate in aqueous solutions, classically described as a Jahn-Teller distorted octahedron and recently proposed to be a fivefold coordination structure [Pasquarello et al., Science 291, 856 (2001)], has been probed with x-ray-absorption spectroscopy by performing a combined theoretical and experimental...

Extended x-ray absorption fine structure spectra were computed based on molecular-dynamics (MD) struc- tural data of a [ Cr(H2O)6 ]3+ aqueous solution using nonempirical cation-water potentials. An excellent re- production of the experimental spectrum was achieved. A simple estimation of Debye-Waller factors of the multiple-scattering paths is...

The aim of this work is to present theoretical resuhs of the hydration of the Po(IV) in solution. Particular attention is paid to the level of calculation needed to properly describe the system under study: Po(IV) coordination number in the first hydration shell and the nature of the polonium-water bonding. The hydration number of the Po(IV) is...

The pathway for vanadium nitride VN formation obtained by milling treatment has been traced out. At the initial stages of the process, the reactant, vanadium metal, showing body-centered cubic bcc structure, becomes highly distorted. Simultaneously, the formation of a small nucleus of the product, VN, takes place. X-ray absorption...

An analytical approach to the analysis of ReflEXAFS data collected from complex multilayer samples, at a range of angles above and below the critical angle is presented. The aim of the technique is to generate a structural model of the investigated system that is consistent with the variable depth sensitivity of the experimental data. The...

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, Xray Absorption techniques (XAS) have gained importance during the last decades although they are not free of...

The local structure of the interlamellar lanthanide ions in montmorillonite upon heating is studied. The analysis of the EXAFS data has been carried out using two model environments, that of La3+ aquocomplex and that of the lanthanum oxide. The information thus obtained is crucial in elucidating the intercalation mechanism and demonstrates the...