The hardness profile as a tool to detect spurious stationary points in the potential energy surface

The energy and hardness profile for a series of inter and intramolecular conformational changes at several levels of calculation were computed. The hardness profiles were found to be calculated as the difference between the vertical ionization potential and electron affinity. The hardness profile shows the correct number of stationary points independently of the basis set and methodology used. It was found that the hardness profiles can be used to check the reliability of the energy profiles for those chemical system

Ab initio valence-bond cluster model for ionic solids: Alkaline-earth oxides

A linear M-O-M (M=metal, O=oxygen) cluster embedded in a Madelung field, and also including the quantum effects of the neighboring ions, is used to represent the alkaline-earth oxides. For this model an ab initio wave function is constructed as a linear combination of Slater determinants written in an atomic orbital basis set, i.e., a valence-bond wave function. Each valence-bond determinant (or group of determinants) corresponds to a resonating valence-bond structure. We have obtained ab initio valence-bond cluster-model wave functions for the electronic ground state and the excited states involved in the optical-gap transitions. Numerical results are reasonably close to the experimental values. Moreover, the model contains the ionic model as a limiting case and can be readily extended and improved.

A Methodology to measure shareholder value orientation and shareholder value creation aimed at providing a research basis to investigate the link between both magnitudes

Does shareholder value orientation lead to shareholder value creation? This article proposes methods to quantify both, shareholder value orientation and shareholder value creation. Through the application of these models it is possible to quantify both dimensions and examine statistically in how far shareholder value orientation explains shareholder value creation. The scoring model developed in this paper allows quantifying the orientation of managers towards the objective to maximize wealth of shareholders. The method evaluates information that comes from the companies and scores the value orientation in a scale from 0 to 10 points. Analytically the variable value orientation is operationalized expressing it as the general attitude of managers toward the objective of value creation, investment policy and behavior, flexibility and further eight value drivers. The value creation model works with market data such as stock prices and dividend payments. Both methods where applied to a sample of 38 blue chip companies: 32 firms belonged to the share index IBEX 35 on July 1st, 1999, one company represents the “new economy” listed in the Spanish New Market as per July 1st, 2001, and 5 European multinational groups formed part of the EuroStoxx 50 index also on July 1st, 2001. The research period comprised the financial years 1998, 1999, and 2000. A regression analysis showed that between 15.9% and 23.4% of shareholder value creation can be explained by shareholder value orientation.

On the set of subrings wich are directed unions of Artinian subrings

The paper contributes to the investigation of zero-dimensional rings which can be written as a directed union of Artinian subrings. We give conditions on DU(R) in order to be nonempty.

A marxian model of the breakdown of capitalism

This paper sets out a Marxian model that is based on the one by Stephen Marglin with one sector and continuous substitution. It is extended by adding technical progress and land as a factor of production. It is then shown that capital accumulation causes the preconditions for the breakdown of capitalism to emerge; that is, it causes the organic composition of capital to rise, the rate of profit to fall and the rate of exploitation to rise. A compressed history of the idea of the breakdown of capitalism is then set out and an explanation is given as to how the model relates to this and how it may serve as the basis for further research.

Two algorithms to find a power integral basis

"Vegeu el resum a l'inici del fitxer adjunt."

Testing of stair climbing point-of-choice prompts in Barcelona at an outdoor set of stairs and scalators on the Montjuïc site

Regular stair climbing has well-documented health dividends, such as increased fitness and strength, weight loss and reduced body fat, improved lipid profiles and reduced risk of osteoporosis. The general absence of barriers to participation makes stair climbing an ideal physical activity (PA) for health promotion. Studies in the US and the UK have consistently shown that interventions to increase the accumulation of lifestyle PA by climbing stairs rather than using the escalators are effective. However, there are no previous in Catalonia. This project tested one message for their ability to prompt travelers on the Montjuïc site to choose the stairs rather than the escalator when climbing up the Monjuïc hill. One standard message, " Take the stairs! 7 minutes of stair climbing a day protects your heart" provided a comparison with previous research done in the UK. Translated into Catalan and Spanish, it was presented on a poster positioned at the point of choice between the stairs and the escalator. The study used a quasi-experimental, interrupted time series design. Travelers, during several and specific hours on two days of the week, were coded for stair or escalator use, gender, age, ethnic status, presence of accompanying children or bags by one observer. Overall, the intervention resulted in a 81% increase in stair climbing. In the follow-up period without messages, stair climbing dropped out to baseline levels. This preliminary study showed a significant effect on stair use. However, caution is needed since results are based on a small sample and, only a low percentage of the sample took the stairs at baseline or the intervention phase . Future research on stair use in Catalonia should focus on using bigger samples, different sites (metro stations, airports, shopping centers, etc) , different messages and techniques to promote stair climbing.

Renormalization and α-limit set for expanding Lorenz maps

We establish a one-to-one correspondence between the renormalizations and proper totally invariant closed sets (i.e., α-limit sets) of expanding Lorenz map, which enable us to distinguish periodic and non-periodic renormalizations. We describe the minimal renormalization by constructing the minimal totally invariant closed set, so that we can define the renormalization operator. Using consecutive renormalizations, we obtain complete topological characteriza- tion of α-limit sets and nonwandering set decomposition. For piecewise linear Lorenz map with slopes ≥ 1, we show that each renormalization is periodic and every proper α-limit set is countable.

Freedom of choice as control over outcomes

As interactions between individuals are introduced into the freedom of choice literature by the mean of game forms, new issues appear. In particular, in this paper it is argued that individuals face uncertainty with respect to outcomes as they lose the control they implicitely exert over options in the opportunity set framework. A criterion is proposed as to compare alternative game forms in terms of the control they offer to individuals. The CardMin criterion suggests that any game form should be judged on the basis of the strategy offering the lowest number of pairwise different outcomes. An axiomatic characterization is provided in the case of two individuals.

A general construction of internal sheaves in algebraic set theory

We present a solution to the problem of defining a counterpart in Algebraic Set Theory of the construction of internal sheaves in Topos Theory. Our approach is general in that we consider sheaves as determined by Lawvere-Tierney coverages, rather than by Grothen-dieck coverages, and assume only a weakening of the axioms for small maps originally introduced by Joyal and Moerdijk, thus subsuming the existing topos-theoretic results.

Avaluació de set materials representatius del programa didàctic aplicat a les Escoles Bressol Municipals de Mataró dins del projecte de formació del professorat 2006/07

ii. Desprès de finalitzar el primer any d’aplicació del projecte “La música a les Escoles Bressol Municipals de Mataró”, s’inicia la present recerca, en la que participen tots els grups que formen part del projecte, amb l’objectiu de valorar-ho i veure’n la continuïtat. Es detecta que els materials emprats en la proposta didàctica són l’element que ha esdevingut més exitós fins al moment. Definint-ne una mostra de set materials, es procedeix a determinar l’ús que les educadores els atorguen en relació a la proposta didàctica i a avaluar-los

Computation of an integral basis of a quartic number field

"Vegeu el resum a l'inici del document del fitxer adjunt."

Proyecto ecoturístico integrado en la Reserva Natural El Tisey - La Estanzuela

El presente proyecto realizado en la Reserva Natural El Tisey-La Estanzuela en la República de Nicaragua pretende mejorar la situación de dicha Reserva como destino ecoturístico. Mediante una descripción exhaustiva del área y una valoración de los recursos y servicios turísticos, se ha planteado la problemática para el desarrollo del ecoturismo. Según la OMT, el ecoturismo es un tipo de turismo sostenible que se realiza en espacios naturales protegidos para conocer la flora y fauna características. Debe satisfacer las necesidades de los turistas y de los autóctonos, al mismo tiempo que protege y mejora las oportunidades de futuro y se respeta la integridad cultural, los procesos ecológicos, la diversidad biológica y los sistemas de apoyo a la vida. En base a ésto y a los resultados obtenidos tanto de la valoración de los servicios y recursos como del análisis DAFO, se han propuesto un conjunto de mejoras y se ha realizado un plan de actuación, que se trata de la elaboración de cuatro itinerarios así como de trípticos informativos, que de llevarse a cabo, mejorarían las condiciones turísticas y de seguro que aumentaría la afluencia de turistas.

Computation of an integral basis of quartic number field

"Vegeu el resum a l'inici del document del fitxer ajunt."