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Paolo Domiano Amos Musatti Mario Nardelli Corrado Pelizzi Giovanni Predieri 《Transition Metal Chemistry》1979,4(6):351-354
Summary The x-ray crystal structure of the title complex is described Crystals are monoclinic, space groupP21/n, with unit-cell dimensions:a=18.070(2),b=13.471(2),c=6.788(2) Å,=94.70(1),Z=4. The structure was solved from diffractometer data by Patterson and Fourier methods and refined by least-squares techniques toR=5.0% for 2451 independent reflections. It consists of complex molecules, in which the copper atom square planar coordination comprises the chlorine atom, Cu-Cl=2.240(3) Å, and the organic ligand which acts as terdentate through the oxygen atom [Cu-O=1.948(3) Å] and a nitrogen atom, [Cu-N=1.933(5) Å] from the hydrazidic chain and the oxygen atom, [Cu-O = 1.894(4) Å] from the pyridoxal group. 相似文献
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Pedro H.J. Nardelli Nicolas Rubido Chengwei Wang Murilo S. Baptista Carlos Pomalaza-Raez Paulo Cardieri Matti Latva-aho 《The European physical journal. Special topics》2014,223(12):2423-2437
This article reviews different kinds of models for the electric power grid that can be used to understand the modern power system, the smart grid. From the physical network to abstract energy markets, we identify in the literature different aspects that co-determine the spatio-temporal multilayer dynamics of power system. We start our review by showing how the generation, transmission and distribution characteristics of the traditional power grids are already subject to complex behaviour appearing as a result of the the interplay between dynamics of the nodes and topology, namely synchronisation and cascade effects. When dealing with smart grids, the system complexity increases even more: on top of the physical network of power lines and controllable sources of electricity, the modernisation brings information networks, renewable intermittent generation, market liberalisation, prosumers, among other aspects. In this case, we forecast a dynamical co-evolution of the smart grid and other kind of networked systems that cannot be understood isolated. This review compiles recent results that model electric power grids as complex systems, going beyond pure technological aspects. From this perspective, we then indicate possible ways to incorporate the diverse co-evolving systems into the smart grid model using, for example, network theory and multi-agent simulation. 相似文献
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Paolo Domiano Amos Musatti Mario Nardelli Corrado Pelizzi Giovanni Predieri 《Transition Metal Chemistry》1980,5(1):172-175
Summary The synthesis, i.r. spectrum and x-ray crystal structure of the title, complex are described, Crystals are monoclinic space groupP 21/n, witha = 19.901(7),b = 13.163(8),c = 7.273(6) A, = 90.58(5)° Z = 4, The structure was solved from diffractometer data by direct methods and refined by least-squares techniques toR = 0.053 for 923 independent reflections. The complex has a distortedmer-octahedral geometry [Mo-O = 1,70(1), 2.15(1), Mo-Cl = 2.340(7), 1.352(7), 2.280(7), Mo-N = 2.19(2) A], The starting ligand Hsip, which is in theE configuration when free and in a number of metal complexes where it is terdentate, assumes here theZ configuration and is hiclentate. 相似文献
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Ferretti A Calzolari A Di Felice R Manghi F Caldas MJ Buongiorno Nardelli M Molinari E 《Physical review letters》2005,94(11):116802
We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron system. We apply this framework to analyze the effect of short-range interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach. 相似文献
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Highly piezoelectric and pyroelectric phases of boron-nitrogen-based polymers have been designed from first principles. They offer excellent electrical and structural properties, with up to 100% improvement in the piezoelectic response and an enhanced thermal stability with respect to polyvinylidene fluoride (PVDF). Since methods for their synthesis are readily available, these polymers are extremely promising for numerous technological applications, rivaling the properties of ferroelectric ceramics and superseding PVDF-based materials in high-performance devices. 相似文献