Wyniki wyszukiwania dla: APPROXIMATION ALGORITHM
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Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics
PublikacjaGdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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THE METHOD OF MEASURING THE MEMBRANE COVER GEOMETRY USING LASER SCANNING AND SYNCHRONOUS PHOTOGRAMMETRY
PublikacjaThe authors present the experience and results of field studies carried out at the technical acceptance of Forest Opera (name in Polish: Opera Leśna) in Sopot (Poland). An unusual design of covering made in the form of “Sheerfill I” technical fabric membrane required spanned in the form of sails, required the use of terrestrial laser scanning. Such approach allowed for the fast and accurate record of the surface of individual panels...
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Rare earth ions doped K 2 Ta 2 O 6 photocatalysts with enhanced UV–vis light activity
PublikacjaNew rare earth-doped K2Ta2O6 photocatalysts were successfully synthesized by hydrothermal method. The effect of dopant type (Y,Yb,Ho,Pr,Er) and amount of rare earth precursor (2,4,8 and 10 mol%) on the physicochemical and photocatalytic properties of RE-K2Ta2O6 have been investigated. All as-prepared materials were characterized by UV–vis diffuse reflectance spectroscopy, Brunauer-Emmett-Teller specific surface area measurement,...
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Towards spectral sensitivity curve for two-photon vision mechanism
PublikacjaAbstract Purpose: The perceived brightness of different visible light sources can be compared with photometric units based on the standardized luminosity curves (300-780nm range). As reported previously (PNAS 111(50), pp. E5445-E5454 (2014)), near-infrared (NIR) radiation can cause isomerization of visual pigments by one- or two-photon absorption. The perceived color of the stimulus is red in the case of one-photon vision (1PV)...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublikacjaIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...