968 resultados para two-centre atomic orbital close coupling method


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Neste artigo, foi estimada a taxa natural de juros para a economia brasileira entre o final de 2001 e segundo trimestre de 2010 com base em dois modelos, sendo o primeiro deles o proposto por Laubach e Williams e o segundo proposto por Mesónnier e Renne, que trata de uma versão alterada do primeiro, que segundo os autores perimite uma estimação mais transparente e robusta. Em ambos os modelos, a taxa natural de juros é estimada em conjunto com o produto potencial, através de filtro de Kalman, no formato de um modelo Espaço de Estado. As estimativas provenientes dos dois modelos não apresentam diferenças relevantes, o que gera maior confiabilidade nos resultados obtidos. Para o período de maior interesse deste estudo (pós-2005), dada a existência de outras análises para período anterior, as estimativas mostram que a taxa natural de juros está em queda na economia brasileira desde 2006. A mensuração da taxa natural de juros, adicionalmente, possibilitou que fosse feita uma avaliação sobre a condução da política monetária implementada pelo Banco Central brasileiro nos últimos anos através do conceito de hiato de juros. Em linhas gerais, a análise mostrou um Banco Central mais conservador entre o final de 2001 e 2005, e mais próximo da neutralidade desde então. Esta conclusão difere da apontada por outros estudos, especialmente para o primeiro período.

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The so-called "residential tourism" came to intensify the previous occupation of the coastal zones, characterized by traditional beach houses, and brought significant consequences for their spatial configuration, and especially for its scenic value of the landscape. Although there is the intention to regulate the activities of enterprising groups by some legal instruments to control the use and occupation of land, and to contain some negative effects, the actions of government are still inefficient in trying to follow the implications on the landscape from the accelerated growth of the real estate and touristic sectors. Supported in the speech of economic development and income generation, public managers prioritize areas to attract tourists to the detriment of preserving important physical attributes of the natural environment that contribute significantly to the quality of life. The result can be noticed in the use of natural elements as one of the major components in the land valorization, and in the immediate attraction of investors and enterprising. Therefore, the objective of this work is to contribute to the debate on the landscape preservation a little detailed thematic in view of their relevance in the current context - by indicating subsidies to the creation of a methodology for the evaluation and protection of coastal zones that may assist the government in creating new instruments, and better prepare it in control of the occupation of these areas. For such, was followed two ways to analysis: the indirect method and the direct method. The first is grounded in the evaluation of landscape attributes, which is based on the work of Raquel Tardin (2008) and Eduardo Cuesta, Encarnación Algarra and Isabel Pastor (2001). The second, based on the research of Leticia and Carlos Hardt (2010) and on the concepts of phenomenology - expressed by Antonio Christofoletti (1985) and Yi-Fu Tuan (1983) - considers the population perspective on the quality of the natural scenery. Developed through cartographic materials, photographic collections and quantitative tables, this dissertation utilized as a case study the beaches of Barra de Tabatinga and Camurupim, located in the city of Nísia Floresta/RN. Despite already being sighted spaces of advanced stage of landscape degradation in these locations, areas of remarkable scenic value can still be found, what reinforce the urgency in adopting preservationists actions. The absence of laws focused on the management and protection of the landscape singularities associated with the inefficiency of the government to invigilate the land occupation in coastal zones, encourage the excessive action of the real estate-tourism, and consequently make the government the main responsible for the environmental and landscape impacts in these areas - by its omission or by their connivance. Therefore, the legislation permeates this entire process and constitutes itself as the most effective way to guarantee the right to the landscape to present and future generations. Are also pointed some important considerations to build a methodology, especially concerning possibilities of improvements and adaptations of its applicability in each case

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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The Malay Apple [Syzygium malaccense (L.) Merr. & L. M. Perry] is an option for the producer as its fruits are attractive and well accepted by the consumer. The difficulty of culture of this species is that the plant is very tall and has a long juvenile period when propagated by seed, making its vegetative propagation necessary to anticipate the productive period and decrease its size. The possibility of vegetative propagation of this species was studied by cutting, layering, and grafting. In the cutting experiment, three doses of indolbutyric acid (IBA) (0, 1,000, 3,000, and 5,000 mg L(-1)) were tested in two lengths of herbaceous cuttings (15 and 25 cm). In the layering experiment, two periods of layering (summer and autumn) and four doses of IBA (0, 1,000, 4,000, 7,000, and 10,000 mg kg(-1)) were evaluated. For grafting, the compatibility between S. malaccense and S. jambos (L.) Alston as rootstock was studied with two diameters (0.5 and 0.8 cm) and in two periods (winter and summer), by method of full graft. For cuttings, the percentage of rooting was 20%, independently of the IBA doses, except for 5,000 mg L(-1) that showed negative effect on 15 cm cuttings; layering and grafting were not successful in the studied conditions.

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The electric energy is essential to the development of modern society and its increasing demand in recent years, effect from population and economic growth, becomes the companies more interested in the quality and continuity of supply, factors regulated by ANEEL (Agência Nacional de Energia Elétrica). These factors must be attended when a permanent fault occurs in the system, where the defect location that caused the power interruption should be identified quickly, which is not a simple assignment because the current systems complexity. An example of this occurs in multiple terminals transmission lines, which interconnect existing circuits to feed the demand. These transmission lines have been adopted as a feasible solution to suply loads of magnitudes that do not justify economically the construction of new substations. This paper presents a fault location algorithm for multiple terminals transmission lines - two and three terminals. The location method is based on the use of voltage and current fundamental phasors, as well as the representation of the line through its series impedance. The wavelet transform is an effective mathematical tool in signals analysis with discontinuities and, therefore, is used to synchronize voltage and current data. The Fourier transform is another tool used in this work for extract voltage and current fundamental phasors. Tests to validate the location algorithm applicability used data from faulty signals simulated in ATP (Alternative Transients Program) as well as real data obtained from oscillographic recorders installed on CHESF s lines.

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Objetivou-se com este trabalho, desenvolver modelos de programação não-linear para sistematização de terras, aplicáveis para áreas com formato regular e que minimizem a movimentação de terra, utilizando o software GAMS para o cálculo. Esses modelos foram comparados com o Método dos Quadrados Mínimos Generalizado, desenvolvido por Scaloppi & Willardson (1986), sendo o parâmetro de avaliação o volume de terra movimentado. Concluiu-se que, ambos os modelos de programação não-linear desenvolvidos nesta pesquisa mostraram-se adequados para aplicação em áreas regulares e forneceram menores valores de movimentação de terra quando comparados com o método dos quadrados mínimos.

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In this work, are discussed two formulations of the boundary element method - BEM to perform linear bending analysis of plates reinforced by beams. Both formulations are based on the Kirchhoffs hypothesis and they are obtained from the reciprocity theorem applied to zoned plates, where each sub-region defines a beam or a stab. In the first model the problem values are defined along the interfaces and the external boundary. Then, in order to reduce the number of degrees of freedom kinematics hypothesis are assumed along the beam cross section, leading to a second formulation where the collocation points are defined along the beam skeleton, instead of being placed on interfaces. on these formulations no approximation of the generalized forces along the interface is required. Moreover, compatibility and equilibrium conditions along the interface are automatically imposed by the integral equation. Thus, these formulations require less approximation and the total number of the degrees of freedom is reduced. In the numerical examples are discussed the differences between these two BEM formulations, comparing as well the results to a well-known finite element code.

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The 5-enolpyruvylshikimate-3-phosphate synthase catalyses the sixth step of the shikimate pathway that is responsible for synthesizing aromatic compounds and is absent in mammals, which makes it a potential target for drugs development against microbial diseases. Here, we report the phosphate binding effects at the structure of the 5-enolpyruvyl shikimate-3-phosphate synthase from Mycobacterium tuberculosis. This enzyme is formed by two similar domains that close on each other induced by ligand binding, showing the occurrence of a large conformation change. We have monitored the phosphate binding effects using analytical ultracentrifugation, small angle X-ray scattering and, circular dichroism techniques. The low resolution results showed that the enzyme in the presence of phosphate clearly presented a more compact structure. Thermal-induced unfolding experiments followed by circular dichroism suggested that phosphate rigidified the enzyme. Summarizing, these data suggested that the phosphate itself is able to induce conformational change resulting in the closure movement in the M. tuberculosis 5-enolpyruvylshikimate-3-phosphate synthase. (c) 2006 Elsevier B.V. All rights reserved.

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We investigate dynamical effects of a bright soliton in Bose-Einstein condensed (BEC) systems with local and smooth space variations of the two-body atomic scattering length. It includes a discussion about the possible observation of a new type of standing nonlinear atomic matter wave in cigar-type traps. A rich dynamics is observed in the interaction between the soliton and an inhomogeneity. By considering an analytical time-dependent variational approach and also full numerical simulation of one-dimensional and three-dimensional Gross-Pitaevskii equations, we study processes such as trapping, reflection and transmission of the bright matter soliton due to the impurity. We also derive conditions for the collapse of the bright solitary wave, considering a quasi-one-dimensional BEC with attractive local inhomogeneity.

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The recent theoretical and experimental activities in positronium (Ps) scattering by atoms and molecules are reviewed with special emphasis at low energies. We critically compare the results of different groups - theoretical and experimental. The theoretical approaches considered include the R-matrix and close-coupling methods applied to Ps-H, Ps-He and Ps-Li scattering, and a coupled-channel approach with a nonlocal model potential for Ps scattering by H, He, H-2, Ne, Ar, Li, Na, K, Rb, Cs and Ps and for pickoff quenching in Ps-He scattering. Results for scattering lengths, partial. total and differential cross-sections as well as resonance and binding energies in different systems are discussed. (C) 2002 Elsevier B.V. B.V. All rights reserved.

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Scattering of positronium (Ps) from atoms (H, He, Ne, Ar), molecule (H(2)) and ion (He(+)) have been investigated using a coupled-channel (CC) formalism with a regularised non-local exchange potential. The advantage of using such a regularized exchange potential in the close-coupling formalism and the normalizability aspect of the solution at low energies with a minimum effective coupling are discussed. Results for the elastic and total scattering cross-sections, resonance and binding energies in Ps-H, and pick-off annihilation results in Ps-He are found to be in excellent agreement with measurements and variational predictions. (C) 2000 Elsevier B.V. B.V. All rights reserved.

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The formulation of a suitable nonlocal model potential for electron exchange is presented, checked with electron-hydrogen and electron-helium scattering, and applied to the study of elastic and inelastic scattering and ionization of orthopositronium (Ps) by helium. The elastic scattering and the n=2 excitations of Ps are investigated using a three-Ps-state close-coupling approximation. The higher (n greater than or equal to 3) excitations and ionization of Ps atoms are treated in the framework of the Born approximation with present exchange. Calculations are reported of phase shifts and elastic, Ps excitation, and total cross sections. The present target elastic total cross section agrees well with experimental results at thermal to medium energies. [S1050-2947(99)04201-8].

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Coagulase-negative staphylococci (CNS) species identification is still difficult for most clinical laboratories. The scheme proposed by Kloos and Schleifer and modified by Bannerman is the reference method used for the identification of staphylococcal species and subspecies; however, this method is relatively laborious for routine use since it requires the utilization of a large number of biochemical tests. The objective of the present study was to compare four methods, i.e., the reference method, the API Staph system (bioMérieux) and two methods modified from the reference method in our laboratory (simplified method and disk method), in the identification of 100 CNS strains. Compared to the reference method, the simplified method and disk method correctly identified 100 and 99% of the CNS species, respectively, while this rate was 84% for the API Staph system. Inaccurate identification by the API Staph method was observed for Staphylococcus epidermidis (2.2%), S. hominis (25%), S. haemolyticus (37.5%), and S. warneri (47.1%). The simplified method using the simple identification scheme proposed in the present study was found to be efficient for all strains tested, with 100% sensitivity and specificity and proved to be available alternative for the identification of staphylococci, offering, higher reliability and lower cost than the currently available commercial systems. This method would be very useful in clinical microbiology laboratory, especially in places with limited resources.

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OBJETIVO: Utilizar a ultra-sonografia como método de avaliação do tempo esofágico e sua capacidade de discriminação entre as substâncias não-sólidas ingeridas (água e iogurte). MATERIAIS E MÉTODOS: Foram estudados 22 adultos jovens, sem queixa gástrica e esofágica, de ambos os sexos. Foi utilizado transdutor de ultra-som de 3,5 MHz, convexo, em modo B, colocado na região epigástrica. O intervalo de tempo esofágico foi determinado utilizando-se um cronômetro que foi acionado no momento da movimentação da glote (início da deglutição) e interrompido ao se visualizar a passagem do conteúdo deglutido no esôfago intra-abdominal. RESULTADOS: O tempo médio de trânsito para a água foi de 6,64 ± 1,83 segundos e para o iogurte foi de 8,59 ± 2,70 segundos. A análise estatística comparativa pelo teste t pareado mostrou que as médias apresentaram diferenças significativas entre as substâncias. CONCLUSÃO: O novo método experimental de avaliar o tempo esofágico com ultra-som é capaz de propiciar diferenças significativas do tempo necessário para um determinado alimento (líquido ou pastoso) percorrer o esôfago, esclarecendo as suspeitas clínicas e possibilitando a indicação mais precisa de exames clínicos mais complexos.

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Uma forma de verificar a eficiência de métodos de estimativa da evapotranspiração de referência (ETo) é a comparação com o método-padrão. Este trabalho tem por finalidade comparar três métodos de estimativa da ETo: Radiação Solar (RS), Makkink (MAK) e Tanque Classe A (TCA) em relação ao método de Penman-Monteith (PM), em dois períodos distintos das fases de desenvolvimento da cultura de citros, com dados médios quinzenais para os períodos inverno-primavera e verão-outono. A pesquisa foi desenvolvida em uma fazenda de citros, em Araraquara - SP, onde foi instalada uma estação meteorológica automatizada e um tanque Classe A. Por intermédio da estação meteorológica automatizada, foram obtidas medidas da radiação solar global, saldo de radiação, temperatura do ar, umidade relativa do ar e velocidade do vento. A análise de regressão indica que, para o método TCA, pode ser utilizado o modelo de regressão y = bx, em que, y representa a EToPM e x a EToTCA. Para os demais métodos analisados, o modelo mais adequado foi y = bx + a. Os resultados obtidos neste estudo evidenciam que o método do TCA superestimou a ETo em 26% no período verão-outono e em 24% no período inverno-primavera. O método de MAK subestimou a ETo nos dois períodos analisados, enquanto o método da RS superestimou a ETo.