Calculations of bond dissociation energies and dipole moments in energetic materials using density-functional methods

We compare the effectiveness of six exchange/correlation functional combinations (Becke/Lee, Yang and Parr; Becke-3/Lee, Yang and Parr; Becke/Perdew-Wang 91; Becke-3/Perdew-Wang 91; Becke/Perdew 86; Becke-3/Perdew 86) for computing C-N, O-O and N-NO2 dissociation energies and dipole moments of five compounds. The studied compounds are hexabydro-1,3,5-trinitro-1,3,5-triazine (RDX), dimethylnitramine, cyanogen, nitromethane and ozone. The Becke-3/Perdew 86 in conjunction with 6-31G

The impact of economic crises on social inequalities in health: what do we know so far?

Since 2008, Western countries are going through a deep economic crisis whose health impacts seem to be fundamentally counter-cyclical: when economic conditions worsen, so does health, and mortality tends to rise. While a growing number of studies have presented evidence on the effect of crises on the average population health, a largely neglected aspect of research is the impact of crises and the related political responses on social inequalities in health, even if the negative consequences of the crises are primarily borne by the most disadvantaged populations. This commentary will reflect on the results of the studies that have analyzed the effect of economic crises on social inequalities in health up to 2013. With some exceptions, the studies show an increase in health inequalities during crises, especially during the Southeast Asian and Japanese crises and the Soviet Union crisis, although it is not always evident for both sexes or all health or socioeconomic variables. In the Nordic countries during the nineties, a clear worsening of health equity did not occur. Results about the impacts of the current economic recession on health equity are still inconsistent. Some of the factors that could explain this variability in results are the role of welfare state policies, the diversity of time periods used in the analyses, the heterogeneity of socioeconomic and health variables considered, the changes in the socioeconomic profile of the groups under comparison in times of crises, and the type of measures used to analyze the magnitude of social inequalities in health. Social epidemiology should further collaborate with other disciplines to help produce more accurate and useful evidence about the relationship between crises and health equity.

Diseño del blindaje de una sala de radiografía.

[ES]Este trabajo trata sobre el diseño del blindaje de una sala de rayos X. Concretamente se ha centrado en el procedimiento para diseñar el blindaje de una sala de radiografías del tórax. Para ello, se ha tomado como punto de partida una posible sala de radiografía de un centro sanitario y se le han aplicado a este caso las pautas que se deben seguir a la hora de hacer estos cálculos con el objetivo de reducir las dosis de radiación recibidas por el personal de operación y asegurar el bienestar del paciente y de los trabajadores Primero y todo para situar en el tema expuesto se ha descrito el contexto, donde se hace un breve resumen del desarrollo que han tenido los rayos X en el ámbito de la medicina. A continuación en el apartado de alcance se han explicado los campos que se van a abarcar en este proyecto. Por último y para acabar la introducción se han escrito lo beneficios del proyecto y su importancia. Para empezar el proyecto se ha presentado la sala de radiografía torácica tomada como ejemplo y se le han hecho los cálculos pertinentes a sus paredes, puertas y ventanas. A continuación se ha expuesto el aspecto económico y de la distribución y para ello se ha realizado un presupuesto y el diagrama de Gantt. Por último se han escrito unas conclusiones generales sobre todo el proyecto.

Análisis de la desigualdad económica en los municipios del País Vasco agrupados por tamaño de la población. Economic Inequality in the municipalities of the Basque Country aggregated by population size.

This paper analyses the economic inequality in the municipalities of the Basque Country during the period 1996 and 2010. We have used dates from the Udalmap database mainly the GDP per capita. We have drawn Lorenz Curves and also we have computed Gini indexes to analyse the evolution of inequality during this period. Therefore, we have concluded that there has been an increase of the economic inequality in the municipalities of the Basque Country during this period of time.

Economic analysis of the privatization of publicly-owned firms

modelo económico sobre la privatización de Telefónica

Financial and Economic Report of a Specific Business Group

As a result of the natural evolution of the economy, ever-changing, unpredictable and cyclical, companies must adapt as far as possible to the changes that have taken place in order to continue with their normal operating activities. Likewise, they should also try to maintain a structure for long-term growth, trying at all times to generate the maximum value. The main objective of this project is to provide financial advisory services to a business group, trying to forward solutions and measures that according to the author can be effective. For this end, the situation of the group in question is analysed from early 2008 to the present day, examining its evolution, what steps have been taken together with their corresponding results and the economic-financial situation of the company at the end of last year. Contact with the company was kept throughout the process of analysis and assessment trying to take advantage of the feedback generated so that the appropriate measures can be adopted if the management considers it to be adequate.

Studies of magnetic interactions in Mn-doped β-Ga2O3 from first-principles calculations

The magnetic behavior of Mn-doped beta-Ga2O3 is Studied from first-principles calculations within the generalized gradient approximation method. Calculations show that ferromagnetic ordering is always favorable for configurations in which two Mn ions substitute either tetrahedral or octahedral sites, and the ferromagnetic ground state is also sometimes favorable for configurations where one Mn ion substitutes a tetrahedral site and another Mn ion substitutes an octahedral site. However, the configurations of the latter case are less stable than those of the former. (c) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Studies of magnetic interactions in Ni-doped ZnO from first-principles calculations

The magnetic interactions in Ni-doped ZnO are calculated using GGA and GGA + U method of density functional theory. The following three cases: (i) Ni-doped ZnO, (ii) (Ni, Al)-codoped ZnO, and (iii) (Ni, Li)-codoped ZnO are studied. The ferromagnetic ordering is always favorable for the three cases within GGA method. However, the ferromagnetic state is sometimes favorable after treating within the method of GGA + U. The GGA underestimates the correlated interactions especially when the Ni ions align directly to each other. (C) 2007 Elsevier B.V. All rights reserved.

First-principles calculations of electronic structures and absorption spectra of YAlO3 crystals with F center

National Nature Science Foundation of China (Grant No. 60607015)