43 resultados para theoretical study


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A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.

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A theoretical density-functional study has been carried out to analyze the exchange coupling in the chains of CuGeO3 using discrete models. The results show a good agreement with the experimental exchange coupling constant (J) together with a strong dependence of J with the Cu-O-Cu angle. The calculation of the J values for a distorted model indicates a larger degree of dimerization than those reported previously.

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[cat] Analitzem una economia amb dues característiques principals: la mobilitat dels treballadors implica transferència de coneixement i la productivitat de l’empresa augmenta amb l’intercanvi de coneixement. Cada empresa desenvolupa un tipus de coneixement que serà trasmès a la resta de la indústria mitjançant la mobilitat de treballadors. Estudiem dues estructures de mercat laboral i utilitzant un anàlisi comparatiu derivem les implicacions del model. Els resultats revelen com la mobilitat de treballadors depèn en la varietat i nivell del coneixement, la presència de costos de mobilitat, les institucions, la capacitat d’absorvir coneixement per part de les empreses i la mida de la indústria. Els resultats no depenen de l’estructura del mercat laboral.

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In this work, the calcium-induced aggregation of phosphatidylserine liposomes is probed by means of the analysis of the kinetics of such process as well as the aggregate morphology. This novel characterization of liposome aggregation involves the use of static and dynamic light-scattering techniques to obtain kinetic exponents and fractal dimensions. For salt concentrations larger than 5 mM, a diffusion-limited aggregation regime is observed and the Brownian kernel properly describes the time evolution of the diffusion coefficient. For slow kinetics, a slightly modified multiple contact kernel is required. In any case, a time evolution model based on the numerical resolution of Smoluchowski's equation is proposed in order to establish a theoretical description for the aggregating system. Such a model provides an alternative procedure to determine the dimerization constant, which might supply valuable information about interaction mechanisms between phospholipid vesicles.

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The theoretical aspects and the associated software of a bioeconomic model for Mediterranean fisheries are presented. The first objective of the model is to reproduce the bioeconomic conditions in which the fisheries occur. The model is, perforce, multispecies and multigear. The main management procedure is effort limitation. The model also incorporates the usual fishermen strategy of increasing efficiency to obtain increased fishing mortality while maintaining the nominal effort. This is modelled by means of a function relating the efficiency (or technological progress) with the capital invested in the fishery and time. A second objective is to simulate alternative management strategies. The model allows the operation of technical and economic management measures in the presence of different kind of events. Both deterministic and stochastic simulations can be performed. An application of this tool to the hake fishery off Catalonia is presented, considering the other species caught and the different gears used. Several alternative management measures are tested and their consequences for the stock and economy of fishermen are analysed.

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We study the details of electronic transport related to the atomistic structure of silicon quantum dots embedded in a silicon dioxide matrix using ab initio calculations of the density of states. Several structural and composition features of quantum dots (QDs), such as diameter and amorphization level, are studied and correlated with transport under transfer Hamiltonian formalism. The current is strongly dependent on the QD density of states and on the conduction gap, both dependent on the dot diameter. In particular, as size increases, the available states inside the QD increase, while the QD band gap decreases due to relaxation of quantum confinement. Both effects contribute to increasing the current with the dot size. Besides, valence band offset between the band edges of the QD and the silica, and conduction band offset in a minor grade, increases with the QD diameter up to the theoretical value corresponding to planar heterostructures, thus decreasing the tunneling transmission probability and hence the total current. We discuss the influence of these parameters on electron and hole transport, evidencing a correlation between the electron (hole) barrier value and the electron (hole) current, and obtaining a general enhancement of the electron (hole) transport for larger (smaller) QD. Finally, we show that crystalline and amorphous structures exhibit enhanced probability of hole and electron current, respectively.

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In recent years, studies into the reasons for dropping out of higher education (including online education) have been undertaken with greater regularity, parallel to the rise in the relative weight of this type of education, compared with brick-and-mortar education. However, the work invested in characterising the students who drop out of education, compared with those who do not, appears not to have had the same relevance as that invested in the analysis of the causes. The definition of dropping out is very sensitive to the context. In this article, we reach a purely empirical definition of student dropping out, based on the probability of not continuing a specific academic programme following several consecutive semesters of "theoretical break". Dropping out should be properly defined before analysing its causes, as well as comparing the drop-out rates between the different online programmes, or between online and on-campus ones. Our results show that there are significant differences among programmes, depending on their theoretical extension, but not their domain of knowledge.

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El concepte d'alfabetització digital ha evolucionat per diverses vies al llarg del temps pel que fa a l'enfocament teòric emprat per a investigar les seves implicacions en l'estudi de la divisió digital de gènere en diversos contextos de la vida real. L'objectiu principal d'aquest document consisteix a fer servir un enfocament interdisciplinari per a analitzar algunes de les llacunes teòriques i empíriques presents en l'estudi de la divisió digital de gènere. S'analitzen alguns dels estudis empírics existents sobre aquesta qüestió i es proposen futures línies de recerca, amb l'objectiu de cobrir algunes de les llacunes en la recerca relacionada amb les implicacions de l'alfabetització digital en l'anàlisi de la divisió digital de gènere.

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Analysis of the interaction between landscape and the individual opens up many research avenues linked to the generation and interpretation of symbolisms and imaginaries. The capacity of landscape for significant and/or communicative evocation finds in intrapersonal communication a relevant argument for the construction of a theoretical framework to study the process of appropriation and experience of the landscape in terms of communicative expression. The principal aim of this paper is to set up the theoretical framework that enables us to interpret the language of landscape and to decode its intangible discourse.

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Catalan has drawn considerable attention given its impressive institutional support and increased usage since the restoration of the Generalitat of Catalonia. We report a study on 112 Catalan-speaking students who were administered the"subjective vitality questionnaire". Results show (and these are compared with reports 20 years ago) that it continues to gain momentum and status, even with the International stature of Spanish. The theoretical and pragmatic significance of these findings are discussed in terms of vitality"s role in shaping Language choices (Catalan vs. Castilian) in everyday communication as well as the societal level in forging Language policies for communicating in Catalan in business, political, educational, and media arenas

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Recent theoretical developments on concession contracts for long term infrastructure projects under uncertain demand show the benefits of allowing for flexible term contracts rather than fixing a rigid term. This study presents a simulation to compare both alternatives by using real data from the oldest Spanish toll motorway. For this purpose, we analyze how well the flexible term would have performed instead of the fixed length actually established. Our results show a huge reduction of the term of concession that would have dramatically decreased the firm’s benefits and the user’s overpayment due to the internalization of an unexpected traffic increase.

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This paper provides a map of the scientific productivity of authors affiliated to a Spanish institution and who have addressed one of the most important current topics in schizophrenia: The study of cognitive performance. A search of the Web of Science yielded 125 articles that met the inclusion criteria. In order to provide a comprehensive overview of scientific productivity, we examine several bibliometric indicators, concerning both productivity and impact or visibility. The analysis also focuses on qualitative aspects of key theoretical importance, such as the kinds of cognitive functions that are most often assessed and the tests most widely used to evaluate them in clinical practice. The study shows that interest in the subject of cognitive function in schizophrenia has increased considerably in Spain since the beginning of this century. The results also highlight the need to standardize the type of tests to be used in the cognitive assessment of patients with schizophrenia.

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The fusion of knowledge, the interrelationship of disciplines and, finally, the interaction of learning fields, provides new challenges for an auto denominated global society. The contemporary value of landscape, linked to the patent commodification of culture, the commercial construction of identities, the triumph of inauthenticity, of the induced representation or the economy of symbolism, open up great prospects for studying the symbolic value of landscape. The rapprochement of geographical praxis to the study of space intangibles, linked to the discovery of emotional geographies, besides the growing interest of communicational sciences on the territorial discourse, allow us to envisage a communicative study of landscape based on a fusion of geographical and communicational knowledge. The balancing of the variables: geography, landscape, emotion and communication, enables the progress towards analysing the emotionalisation of space to discern its intangible value, which emerges from the application of different communication techniques.