218 resultados para Densitat bielectrònica


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[cat] Utilitzem un conjunt de mètriques del paisatge per estudiar l'evolució a llarg termini seguida en una típica zona costanera del Mediterrani des de 1850 fins a 2005, que mostren una greu deterioració del medi ambient entre 1950 i 2005. Les principals forces motores d'aquesta degradació del paisatge han estat el creixement urbà experimentat a les antigues zones agrícoles situades a les planes litorals, juntament amb l'abandonament i la reforestació dels vessants dels pujols interceptats per àrees residencials de baixa densitat, carreteres i altres infraestructures lineals. Duem a terme una anàlisi estadística de redundància (RDA) amb la finalitat d'identificar els que considerem com alguns agents rectors socioeconòmics i polítics d'última instància d'aquests impactes ambientals. Els resultats confirmen les nostres hipòtesis interpretatives, que són que: 1) els canvis en les cobertes i usos del sòl determinen canvis en les propietats dels paisatge, tant estructurals com funcionals; 2) aquests canvis no es produeixen per atzar, sinó que estan relacionats amb factors geogràfics i forces socioeconòmiques i polítiques.

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Olive oil decreases the risk of CVD. This effect may be due to the fatty acid profile of the oil, but it may also be due to its antioxidant content which differs depending on the type of olive oil. In this study, the concentrations of oleic acid and antioxidants (phenolic compounds and vitamin E) in plasma and LDL were compared after consumption of three similar olive oils, but with differences in their phenolic content. Thirty healthy volunteers participated in a placebo-controlled, double-blind, crossover, randomized supplementation trial. Virgin, common, and refined olive oils were administered during three periods of 3 weeks separated by a 2-week washout period. Participants were requested to ingest a daily dose of 25 ml raw olive oil, distributed over the three meals of the day, during intervention periods. All three olive oils caused an increase in plasma and LDL oleic acid (P,0·05) content. Olive oils rich in phenolic compounds led to an increase in phenolic compounds in LDL (P,0·005). The concentration of phenolic compounds in LDL was directly correlated with the phenolic concentration in the olive oils. The increase in the phenolic content of LDL could account for the increase of the resistance of LDL to oxidation, and the decrease of the in vivo oxidized LDL, observed in the frame of this trial. Our results support the hypothesis that a daily intake of virgin olive oil promotes protective LDL changes ahead of its oxidation.

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Después de un período de crecimiento urbanístico desorbitado es oportuno hacer un primer balance de las consecuencias que este hecho ha tenido sobre la estructura espacial de las principales urbes españolas. Un elemento básico de análisis es las variaciones que se han operado sobre la densidad de población. En el presente artículo se estudian estas transformaciones mediante modelos econométricos de densidad urbana. Las metrópolis investigadas son Madrid, Barcelona, Valencia, Sevilla, Bilbao y Zaragoza y el periodo temporal abarca desde 2001 a 2007. Los resultados indican, para las metrópolis más pobladas, cambios significativos en los parámetros, y en dos casos en la propia forma funcional de la densidad.

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The chemical properties of single-atomic chains of gold atoms are investigated using density functional calculations. The nanochains are shown to be unusually chemically active with strong chemisorption of oxygen atoms and carbon monoxide. The chemisorption energies vary significantly with the strain/stress conditions for the chain. Oxygen atoms are found to energetically prefer to get incorporated into a chain forming a new type of gold-oxygen nanochain with a conductance of one quantum unit. We suggest that the long bond lengths observed in electron microscopy investigations of gold chains can be due to oxygen incorporation.

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The interface of MgO/Ag(001) has been studied with density functional theory applied to slabs. We have found that regular MgO films show a small adhesion to the silver substrate, the binding can be increased in off-stoichiometric regimes, either by the presence of O vacancies at the oxide film or by a small excess of O atoms at the interface between the ceramic to the metal. By means of theoretical methods, the scanning tunneling microscopy signatures of these films is also analyzed in some detail. For defect free deposits containing 1 or 2 ML and at low voltages, tunnelling takes place from the surface Ag substrate, and at large positive voltages Mg atoms are imaged. If defects, oxygen vacancies, are present on the surface of the oxide they introduce much easier channels for tunnelling resulting in big protrusions and controlling the shape of the image, the extra O stored at the interface can also be detected for very thin films.

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Aquest projecte té com a finalitat desenvolupar un sistema no destructiu per a la caracterització de les plantacions de vinya i d’arbres fruiters mitjançant la utilització d’un sensor làser (LiDAR - Light Detection and Ranging). La informació obtinguda ha de permetre estudiar la resposta del cultiu a determinades accions (poda, reg, adobs, etc.); i també realitzar tractaments fitosanitaris adaptats a la densitat foliar del cultiu. La posada a punt del sistema (software i hardware) es va realitzar a escala reduïda mitjançant proves de laboratori sobre un arbre ornamental. Obtenint la configuració del sensor LiDAR més adequada i la calibració de tot el sistema. L’any 2004 van realitzar assajos en plantacions de pomera, perera, cítrics i vinya. L’objectiu era posar a prova el sistema i obtenir dades dels cultius. Amb la introducció de canvis i millores en el sistema i en la metodologia de treball, l’any 2005 es van realitzar nous assajos, però només en perera Blanquilla i en vinya Merlot. En tots els assajos s’escanejaven unes franges de vegetació concretes i posteriorment es desfullaven manualment per a calcular-ne l’Índex d’Àrea Foliar (IAF). Les dades obtingudes amb el sensor LiDAR s’han analitzat mitjançant l’aplicació de la metodologia desenvolupada per Walklate et al.(2002) i s’han obtingut determinats paràmetres vegetatius de cultiu, que posteriorment s’han correlacionat amb l’Índex d’Àrea Foliar (IAF) obtingut de forma experimental. La capacitat de predicció de l’Índex d’Àrea Foliar (IAF) per part dels diferents paràmetres calculats es diferent en cada cultiu, essent necessàries més proves i major nombre de dades a fi d’obtenir un model fiable per a l’estimació de l’IAF a partir de les lectures del sensor LiDAR. L’estudi de la variabilitat de la vegetació mitjançant l’anàlisi de la variabilitat del Tree Area Index (TAI) al llarg de la fila ha permès determinar el nombre mínim necessari d’escanejades acumulades per a l’estimació fiable de l’Índex d’Àrea Foliar. Finalment s’ha estudiat la incidència de l’alçada de col•locació del sensor LiDAR respecte la vegetació.

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La major part dels habitants de països desenvolupats vivim a grans ciutats, amb una gran densitat de població, entre multitud de persones desconegudes, dependents per a gairebé qualsevol activitat d'una tecnologia que ens fa la vida més fàcil, ens desplacem còmodament en vehicles que ens eviten qualsevol esforç físic i els nostres àpats són abundants. No obstant això, presentem un excés de sucres refinats, sal i greixos i estem totalment desconnectats del medi natural en el qual evolucionem. Estem tan habituats a aquesta vida que, a la majoria no se'ns passa pel cap qüestionar-la i pensem que la nostra manera de viure és la correcta i hauria de ser un model a seguir per qualsevol societat que aspiri a descriure's com a avançada [...]

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We have studied the structure and dipole charge-density response of nanorings as a function of the magnetic field using local-spin-density-functional theory. Two small rings consisting of 12 and 22 electrons confined by a positively charged background are used to represent the cases of narrow and wide rings. The results are qualitatively compared with experimental data existing on microrings and on antidots. A smaller ring containing five electrons is also analyzed to allow for a closer comparison with a recent experiment on a two-electron quantum ring.

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We have employed time-dependent local-spin density-functional theory to analyze the multipole spin and charge density excitations in GaAs-AlxGa1-xAs quantum dots. The on-plane transferred momentum degree of freedom has been taken into account, and the wave-vector dependence of the excitations is discussed. In agreement with previous experiments, we have found that the energies of these modes do not depend on the transferred wave vector, although their intensities do. Comparison with a recent resonant Raman scattering experiment [C. Schüller et al., Phys. Rev. Lett. 80, 2673 (1998)] is made. This allows us to identify the angular momentum of several of the observed modes as well as to reproduce their energies

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We have investigated the structure of double quantum dots vertically coupled at zero magnetic field within local-spin-density functional theory. The dots are identical and have a finite width, and the whole system is axially symmetric. We first discuss the effect of thickness on the addition spectrum of one single dot. Next we describe the structure of coupled dots as a function of the interdot distance for different electron numbers. Addition spectra, Hund's rule, and molecular-type configurations are discussed. It is shown that self-interaction corrections to the density-functional results do not play a very important role in the calculated addition spectra

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A density-functional self-consistent calculation of the ground-state electronic density of quantum dots under an arbitrary magnetic field is performed. We consider a parabolic lateral confining potential. The addition energy, E(N+1)-E(N), where N is the number of electrons, is compared with experimental data and the different contributions to the energy are analyzed. The Hamiltonian is modeled by a density functional, which includes the exchange and correlation interactions and the local formation of Landau levels for different equilibrium spin populations. We obtain an analytical expression for the critical density under which spontaneous polarization, induced by the exchange interaction, takes place.

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We investigate the spreading of 4He droplets on alkali-metal surfaces at zero temperature, within the frame of finite range density-functional theory. The equilibrium configurations of several 4HeN clusters and their asymptotic trend with increasing particle number N, which can be traced to the wetting behavior of the quantum fluid, are examined for nanoscopic droplets. We discuss the size effects inferring that the asymptotic properties of large droplets correspond to those of the prewetting film.

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We compute the density-fluctuation spectrum of spherical 4HeN shells adsorbed on the outer surface of Cn fullerenes. The excitation spectrum is obtained within the random-phase approximation, with particle-hole elementary excitations and effective interaction extracted from a density-functional description of the shell structure. The presence of one or two solid helium layers adjacent to the adsorbing fullerene is phenomenologically accounted for. We illustrate our results for a selection of numbers of adsorbed atoms on C20, C60, and C120. The hydrodynamical model that has proven successful to describe helium excitations in the bulk and in restricted geometries permits to perform a rather exhaustive analysis of various fluid spherical systems, namely, spheres, cavities, free bubbles, and bound shells of variable size.