Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Indexación: Web of ScienceTheoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic and nucleophilic Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.http://www.mdpi.com/1420-3049/21/6/74

Youth integration into the labour market: the importance of key competencies

Treball Final de Grau en Administració d'Empreses. Codi: AE1049. Curs 2020/202

El País Vasco y Cataluña, una historia comparada: la limitada incidencia de la legislación sobre casas baratas en Barakaldo, Portugalete, Sabadell y Terrassa (1911-1936)

Fue a lo largo del siglo XIX cuando el problema de la vivienda adquirió en Europa un carácter inusitado. En un intento de paliar su incidencia, el estado español promulgó, entre 1911 y 1936, las denominadas Leyes de Casas Baratas. Barakaldo, Portugalete, Sabadell y Terrassa, las cuatro localidades analizadas, participaron en el proceso constructivo de Casas Baratas con mayor o menor intensidad, dejando, finalmente, entrever la incapacidad de ese conjunto de disposiciones para restaurar el equilibrio natural, población-habitación.XIX. mendean zehar inoiz baino larriago agertu zen etxebizitzaren arazoa Europan. Espainiako estatuak, horren eragina arintzeko ahaleginetan, Etxe Merkeen Legeak izenekoak promulgatu zituen, 1911tik 1936ra bitartean. Hemen azterturiko lau hiriek -Barakaldo, Portugalete, Sabadell eta Terrassak- Etxe Merkeak eraikitzeko prozesuan parte hartu zuten, bizitasun handiagoz edo txikiagoz, antzematen utzirik, azken finean, promulgazio multzo horren ezina biztanleen eta etxebizitzen arteko oreka naturala berriro bere onera ekartzeko.C'est durant le siècle XIX que le problème du logement acquit un caractère inusité. Tentant de palier à son incidence, l'état espagnol promulgua, entre 1911 et 1936, ce que l'on a appelé les Lois de Maisons Bon Marché. Barakaldo, Portugalete, Sabadell et Terrassa, les quatre localités analysées, participèrent au processus de construction de Maisons Bon Marché avec plus ou moins d'intensité, en laissant, finalement, entrevoir l'incapacité de cet ensemble de promulgations pour restaurer l'équilibre naturel, population-habitation.During the XIX century, the problem of housing in Europe acquired an unusual character. In an attempt to palliate its incidence, the Spanish state promulgated, between 1911 and 1936, the sp-called Laws on Cheap Housing. Barakaldo, Portugalete, Sabadell and Terrassa, the four towns analysed, participated in the construction of cheap housing with varying intensity, allowing us, finally, to glimpse the disability of that set of laws to restore the natural balance between inhabitants and dwellings

El temple romà de Vic i la seva decoració arquitectònica

L’estudi de l’estat actual i dels elements arquitectònics i decoratius del temple romà de Vic són la base sobre la qual es basteix no només una nova proposta de restitució d’aquest edifici que segueix els paral·lels proporcionats per altres temples d’Hispània i de l’imperi romà, sinó també una revisió de la seva cronologia a partir de l’anàlisi estilística detallada dels elements originals (capitell, fusts, base, cornises...) que avança pràcticament en un segle el moment de la seva construcció

Our ten years of work on transparet box business simulation

Traditional business games are of the so-called black-box type (BBBS=Black box business simulator); that is to say, the internal structure which generates the results of the simulation after decision-making is not known. As a result, the player normally operates by trial and error and bases his decisions on the symptoms of the problem (the observed behaviors of the system's variables) and not on the real causes of the problem (the system's structure). Since 1988 José A.D. Machuca has insisted that the business games based on System Dynamics models should be Transparent-box business simulators (TBBSs). That means that, during the game, the user has access to the structure of the underlying model and is able to relate it to the observed behaviors. The hypothesis is that such transparency would facilitate causal reflection and favor systemic learning of business problems. In 1990, the G.I.D.E.A.O. Research Group took action on this idea and centered one of its lines of research on this matter, with three main objectives: a) Creation of TBBSs, b) Introduction of TBBSs in undergraduate and graduate Management courses as well as in executive training, c) Experimentation in controlled environments in order to test the hypothesis mentioned in the above paragraph. Now, ten years after the birth of the idea, we would like to share in this paper the results obtained during that period

Model-assisted estimation of small area poverty measures: an application within the Valencia Region in Spain

This paper introduces small area estimators of poverty indexes, with special attention to the poverty rate (or Head Count Index), and studies the sampling design consistency and the asymptotic normality of these estimators. The estimators are assisted by nested error regression models and are model-assisted counterparts of model-based empirical best predictors. Simulation studies show that these estimators present a good balance between sampling bias and mean squared error. Data from the 2013 Spanish living conditions survey with respect to the region of Valencia are used to determine the performance of this new method for estimating the poverty rate.Valencian Governmen

Which Corporate Governance Mechanisms Drive CSR Disclosure Practices in Emerging Countries?

Although several studies have analyzed the role that specific corporate governance mechanisms have on Corporate Social Responsibility (CSR) reporting practices, their findings have not been conclusive and the evidence from developing countries is scarce. The theoretical support for this relationship in the previous literature is found in Stakeholder, Agency, Legitimacy, and Good Management theories. Undoubtedly, as the institutional environment has an important impact on CSR reporting practices, it would be relevant for this field of research to analyze this relationship in companies from emerging countries. It is suggested for the sake of convenience to consider different levels of corporate governance mechanisms together due to the high interdependence among them. Consequently, the aim of this paper is to analyze whether different levels of corporate governance mechanisms (at the institutional, group, and firm level) are determinant factors of the CSR reporting practices in BRICS countries (Brazil, Russia, India, China, and South Africa). The final sample was composed of 281 companies. On the basis of our results, we conclude that institutional corporate governance mechanisms influence the company’s CSR reporting strategy and that both CSR disclosure practices analyzed are affected by group-level corporate governance mechanisms in companies from family-based societies. Our findings support the appropriateness of separately analyzing this issue in emerging countries

Potential role for clinical calibration to increase engagement with and application of home telemonitoring: a report from the HeartCycle programme

Aims: There is a need for alternative strategies that might avoid recurrent admissions in patients with heart failure. home telemonitoring (HTM) to monitor patient's symptoms from a distance may be useful. This study attempts to assess changes in HTM vital signs in response to daily life activities (variations in medication, salt intake, exercise, and stress) and to establish which variations affect weight, blood pressure, and heart rate. Methods and results: We assessed 76 patients with heart failure (mean age 76 ± 10.8 years, 75% male, mainly in NYHA class II/III and from ischaemic aetiology cause). Patients were given a calendar of interventions scheduling activities approximately twice a week before measuring their vital signs. Eating salty food or a large meal were the activities that had a significant impact on weight gain (+0.3 kg; P < 0.001 and P = 0.006, respectively). Exercise and skipping a dose of medication other than diuretics increased heart rate (+3 bpm, P = 0.001 and almost +2 bpm, P = 0.016, respectively). Conclusions: Our HTM system was able to detect small changes in vital signs related to these activities. Further studies should assess if providing such a schedule of activities might be useful for patient education and could improve long-term adherence to recommended lifestyle changes