5,166 research outputs found

    VCD helps others in molecular aggregates

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    Molecular self-assembly is the driving force of a great number of physical, chemical and biological processes in Nature.1 The properties of the molecular aggregates are markedly dependent on the intermolecular forces which hold together the building blocks, but also on the chemical and structural features of these building blocks. The transference of properties from the individual molecules to the bulk aggregate can be summarized in three main behaviours: disappearance (dipole moment), direct sum (weight) and enhancement (resilience). A nice example of the last group is the optical activity. The presence of a chiral seed in the molecules modulates their folding by favouring one among the available macrostructures. As a consequence, new forms of supramolecular chirality are triggered, such as helical, spiral or chiral sheets, which usually give rise to a noticeable increasing of the chiral signal of the aggregates. Vibrational circular dichroism (VCD) is the chiral version of infrared spectroscopy. It combines the intramolecular view provided by the molecular vibrations with the selective capability of a chiral analysis. It is also a suitable technique to observe the aggregation-induced signal enhancement in any type of condensed phase (solid, liquid, gel, etc). Here we present a series of studies on supramolecular systems, Figure 1, in which VCD helps and improves the analysis obtained by other techniques of chiral analysis as electron microscopy (SEM, AFM), electronic circular dichroism (ECD), Raman optical activity (ROA) or circularly polarized luminescence (CPL). These studies are aimed to obtain structural information of the macromolecular scaffolding useful to control the features and applications of the aggregates.Universidad de Málaga, Campus de Excelencia Internacional Andalucía Tec

    Sentido e indeterminación en la cinta blanca, de Michael Haneke

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    _La cinta blanca narra una serie de acontecimientos inconexos e inexplicables, actos terribles que van generando una impresión de sinsentido, hechos violentos perpetrados contra víctimas inocentes o miembros "positivos". El análisi cinematográfico de esta película revela la importancia de la exclusión social de los niños en la sociedad austriaca de entreguerras como elemento que logra despejar el enigma del filme

    Comparing New Keynesian models in the Euro area: a Bayesian approach

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    This paper estimates and compares four versions of the sticky price New Keynesian model for the Euro area, using a Bayesian approach as described in Rabanal and Rubio-Ramírez (2003). We find that the average duration of price contracts is between four and eight quarters, similar to the one estimated in the United States, while price indexation is found to be smaller. On the other hand, average duration of wage contracts is estimated to between one and two quarters, lower than the one found for the United States, while wage indexation is higher. Finally, the marginal likelihood indicates that the sticky price and sticky wage model of Erceg, Henderson, and Levin (2002), its wage indexation variant, and the baseline sticky price model with price indexation have similar data explanation power, while it positions the baseline sticky price model of Calvo at a lower level.

    Using the Kalman filter to smooth the shocks of a dynamic stochastic general equilibrium model

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    This paper shows how to use the Kalman filter (Kalman 1960) to back out the shocks of a dynamic stochastic general equilibrium model. In particular, we use the smoothing algorithm as described in Hamilton (1994) to estimate the shocks of a sticky-prices and sticky-wages model using all the information up to the end of the sample.

    Oxidized Forms of Antiaromatic Oligomers of Biphenylene

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    Rsumen de la comunicaciónThe importance of antiaromatic molecules in Chemistry and more recently in material science is rising. In the particular case of applications in electronics, the antiaromatic skeleton offers the favorable situation of high energy (i.e., destabilized) occupied molecular orbitals allowing to ease oxidation, doping or electron transfer to form conductive and photo-active substrates.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tec

    La herida semejante

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    Is the Precession of Mercury\u27s Perihelion a Natural (Non-Relativistic) Phenomenon?

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    The general theory of relativity claims that the excess of precession of the planetary orbits has its origin in the curvature of space-time produced by the Sun in its near vicinity. In general relativity, gravity is thought to be a measure of the curvature of spacetime when matter is present. By arguing that free falling particles follow geodesies inside gravitational fields, Schwarzschild\u27s solution to Einstein\u27s field equations explains that when space-time is approximately flat (weak aravitational pull of the Sun), the planetary orbits describe minute precessions which, for Mercury, agrees well with observation. This brief paper explains, first by elaborating on pure special relativity arguments, and second, by considering another solution to Newton\u27s gravitational law, that Mercury\u27s orbital precession does not necessarily demonstrate the unique validity of general relativity

    Comparing solution methods for dynamic equilibrium economies

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    This paper compares solution methods for dynamic equilibrium economies. The authors compute and simulate the stochastic neoclassical growth model with leisure choice using Undetermined Coefficients in levels and in logs, Finite Elements, Chebyshev Polynomials, Second and Fifth Order Perturbations and Value Function Iteration for several calibrations. The authors document the performance of the methods in terms of computing time, implementation complexity and accuracy and they present some conclusions about their preferred approaches based on the reported evidence.
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