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The pseudopotential augmented-plane-wave method was used to study the surface structure of thin copper films with monolayers of Co, Ni, and Cs. Local densities of electron states, distributions of charge densities in the layers, and electron energy spectra are analyzed. The effect of adsorbates on the electronic properties of the Cu(001) surface and work function are discussed. Satisfactory agreement with available experimental data has been obtained.  相似文献   
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The formation of spanning hydrogen-bonded water networks on protein surfaces by a percolation transition is closely connected with the onset of their biological activity. To analyze the structure of the hydration water at this important threshold, we performed the first computer simulation study of the percolation transition of water in a model protein powder and on the surface of a single protein molecule. The formation of an infinite water network in the protein powder occurs as a 2D percolation transition at a critical hydration level, which is close to the values observed experimentally. The formation of a spanning 2D water network on a single rigid protein molecule can be described by adapting the cluster analysis of conventional percolation studies to the characterization of the connectivity of the hydration water on the surface of finite objects. Strong fluctuations of the surface water network are observed close to the percolation threshold. Our simulations also furnish a microscopic picture for understanding the specific values of the experimentally observed hydration levels, where different steps of increasing mobility in the hydrated powder are observed.  相似文献   
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Spin networks and quantum gravity   总被引:1,自引:0,他引:1  
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Summary The monoperoxo complexes, M2[VO(HEDTA)(O2)]· 4H2O, where M is K+ or NH 4 + and H4EDTA is ethylene-diaminetetraacetic acid, were prepared and characterized by Raman and i.r. spectra in the solid state and in aqueous solution. The single crystal X-ray study revealed a pentagonal bipyramidal anion structure with a tetradentate HEDTA(3—) ligand. The decomposition of complexes in aqueous solution to blue vanadium(IV) complexes as end products proceeds via a nonperoxo complex of vanadium.  相似文献   
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Some information characterizing wastepaper, including utilization rates, technical data of different fiber grades, and waste paper processing technologies, is presented in the article. Wastepaper obtained from different sources such as cardboard and paper production, production of various goods (e.g. printing companies), and cardboard and paper consumption (e.g. household waste) is also described.  相似文献   
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A striking feature of quantum error correcting codes is that they can sometimes be used to correct more errors than they can uniquely identify. Such degenerate codes have long been known, but have remained poorly understood. We provide a heuristic for designing degenerate quantum codes for high noise rates, which is applied to generate codes that can be used to communicate over almost any Pauli channel at rates that are impossible for a nondegenerate code. The gap between nondegenerate and degenerate code performance is quite large, in contrast to the tiny magnitude of the only previous demonstration of this effect. We also identify a channel for which none of our codes outperform the best nondegenerate code and show that it is nevertheless quite unlike any channel for which nondegenerate codes are known to be optimal.  相似文献   
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Russian Physics Journal - An experimental investigation of the phenomenon of diffusion of the solution components in nanosized pores is extremely difficult and in certain cases impossible. An...  相似文献   
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We propose a modification of special relativity in which a physical energy, which may be the Planck energy, joins the speed of light as an invariant, in spite of a complete relativity of inertial frames and agreement with Einstein's theory at low energies. This is accomplished by a nonlinear modification of the action of the Lorentz group on momentum space, generated by adding a dilatation to each boost in such a way that the Planck energy remains invariant. The associated algebra has unmodified structure constants. We also discuss the resulting modifications of field theory and suggest a modification of the equivalence principle which determines how the new theory is embedded in general relativity.  相似文献   
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