55 research outputs found

    Estudo de regionalização de vazÔes médias na região do Médio Uruguai.

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    No Brasil ainda existem regiÔes onde os dados hidrológicos båsicos são reduzidos ou inexistentes, devido aos elevados custos de implantação, operação e manutenção de uma rede hidrométrica, principalmente em grandes bacias. Além disso, muitos postos hidrológicos com poucos anos de dados não retratam necessariamente uma amostra representativa.bitstream/item/17808/1/cnptiacirc04.pd

    Vibrational Excitations in Weakly Coupled Single-Molecule Junctions: A Computational Analysis

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    In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single molecule junctions and they can provide a similar means of identification. We present a method to efficiently calculate these excitation lines in weakly coupled, gateable single-molecule junctions, using a combination of ab initio density functional theory and rate equations. Our method takes transitions from excited to excited vibrational state into account by evaluating the Franck-Condon factors for an arbitrary number of vibrational quanta, and is therefore able to predict qualitatively different behaviour from calculations limited to transitions from ground state to excited vibrational state. We find that the vibrational spectrum is sensitive to the molecular contact geometry and the charge state, and that it is generally necessary to take more than one vibrational quantum into account. Quantitative comparison to previously reported measurements on pi-conjugated molecules reveals that our method is able to characterize the vibrational excitations and can be used to identify single molecules in a junction. The method is computationally feasible on commodity hardware.Comment: 9 pages, 7 figure

    Frank-Condon principle and adjustment of optical waveguides with nonhomogeneous refractive indices

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    The adjustment of two different selfocs is considered using both exact formulas for the mode-connection coefficients expressed in terms of Hermite polynomials of several variables and a qualitative approach based on the Frank-Condon principle. Several examples of the refractive-index dependence are studied and illustrative plots for these examples are presented. The connection with the tomographic approach to quantum states of a two-dimensional oscillator and the Frank-Condon factors is established.Comment: 8 pages, 4 figures, published version (layout of figures changed, typos corrected, references added

    Toward continental hydrologic–hydrodynamic modeling in South America

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    Providing reliable estimates of streamflow and hydrological fluxes is a major challenge for water resources management over national and transnational basins in South America. Global hydrological models and land surface models are a possible solution to simulate the terrestrial water cycle at the continental scale, but issues about parameterization and limitations in representing lowland river systems can place constraints on these models to meet local needs. In an attempt to overcome such limitations, we extended a regional, fully coupled hydrologic–hydrodynamic model (MGB; Modelo hidrológico de Grandes Bacias) to the continental domain of South America and assessed its performance using daily river discharge, water levels from independent sources (in situ, satellite altimetry), estimates of terrestrial water storage (TWS) and evapotranspiration (ET) from remote sensing and other available global datasets. In addition, river discharge was compared with outputs from global models acquired through the eartH2Observe project (HTESSEL/CaMa-Flood, LISFLOOD and WaterGAP3), providing the first cross-scale assessment (regional/continental&thinsp; × &thinsp;global models) that makes use of spatially distributed, daily discharge data. A satisfactory representation of discharge and water levels was obtained (Nash–Sutcliffe efficiency, NSE&thinsp;&gt;&thinsp;0.6 in 55&thinsp;% of the cases) and the continental model was able to capture patterns of seasonality and magnitude of TWS and ET, especially over the largest basins of South America. After the comparison with global models, we found that it is possible to obtain considerable improvement on daily river discharge, even by using current global forcing data, just by combining parameterization and better routing physics based on regional experience. Issues about the potential sources of errors related to both global- and continental-scale modeling are discussed, as well as future directions for improving large-scale model applications in this continent. We hope that our study provides important insights to reduce the gap between global and regional hydrological modeling communities.</p

    Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

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    Abstract: The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate,C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitionsand their associated vibronic series observed in the photoabsorption spectrum, have beenassigned in accordance with new ab initio calculations of the vertical excitation energiesand oscillator strengths. Also, the photoabsorption cross sections have been used tocalculate the photolysis lifetime of this ester in the upper stratosphere(20−50 km). Calculationshave also been carried out to determine the ionisation energies and fine structure of thelowest ionic state of ethyl acetate and are compared with a newly recorded photoelectronspectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the firstphotoelectron band of this molecule for the first time

    Lace-bug genera of the world. (Hemiptera: Tingidae)

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    Volume: 112Start Page: 1End Page: 10
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