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Search results for: STRUKTURY SUPRAMOLEKULARNE
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublicationW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Deltorphin analogs restricted via a urea bridge: structure and opioid activity
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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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Deltorphin analogs restricted via a urea bridge: structure and opioid activity
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Conformation-family Monte Carlo: A new method for crystal structure prediction
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Optimal Shape Refurbishment of Distorted Dome Structure with Safeguarding of Member Stress
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Committee of Electronics and Telecommunications Polish Academy of Sciences Structure – Activities – Perspectives
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Road Safety Observatories within the Structure of Integrated Transport Safety Systems
PublicationAccurate knowledge about the causes, circumstances and place of transport accidents is the prerequisite to take the correct action to improve transport safety. Developing appropriate organizational structures, forms and methods of management and implementation of safety measures in the sectoral approach condition the success. Therefore the Safety Information System is one of the integral areas of the Integrated Transport Safety...
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Preparation and structure of nanocrystalline sol-gel derived lithium titanate powder
Publicationw pracy szczegółowo opisano nowatorską metodę wytwarzania nanokrystalicznych proszków tytanianu litu. przedstawiono wyniki badań wykonanych próbek.
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Influence of TiO2 structure on its photocatalytic activity towards acetaldehyde decomposition
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Effects of Coulomb interaction on the electronic structure and lattice dynamics of the Mott insulatorFe2SiO4spinel
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Poly(vinyl alcohol)/GO-MMT nanocomposites: Preparation, structure and properties
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Enhancement of the structure stability of MOF‐5 confined to multiwalled carbon nanotubes
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Structure and elastic properties of Mg(OH)2from density functional theory
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Verification of algorithms determining wave loads on support structure of wind turbine
PublicationThe offshore wind turbines require determination of wave loads on their support structure. This structure is fixed and, therefore, this problem is reduced to solving only the diffraction problem, which is determined by Laplace equation and conditions on the following boundaries: on the support structure, on the sea free surface and on its bottom, and at infinity on free surface. The linear problem was applied to determine the wave...
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Organizacja wymiaru sprawiedliwości w strukturze sieci publicznej - możliwe interakcje
PublicationW artykule przedstawiono strukturę organizacyjną wymiaru sprawiedliwości w celu udzielenia odpowiedzi na podstawowe pytanie o możliwe w niej relacje sieciowe oraz ich siłę i sposób oddziaływania. W ramach organizacji wymiaru sprawiedliwości zdefiniowano publiczne międzyorganizacyjne sieci sądowe. Dokonano ich podziału na regulacyjne sieci międzyorganizacyjne i dobrowolne sieci międzyorganizacyjne. Przedstawiono także korzyści i...
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Acetylcholinesterase inhibitors: structure-activity relationship and kinetic studies on selected flavonoids
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PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects
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Two-phase flow structure assessment based on dynamic image analysis
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FPGA Implementation of the Gradient Adaptive Lattice Filter Structure for Feature Extraction
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Plasmon and structure resonances in the scattering of light by a periodic chain of silver nanocylinders
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Thresholds of Lasing as Solutions of Characteristic Equation for a VCSEL-type Layered Structure
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems
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Quantitative structure–retention relationships in affinity high-performance liquid chromatography
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The influence of laser alloying on the structure and mechanical properties of AlMg5Si2Mn surface layers
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Hyperfine Structure Study of Several Lines of207Pb I – Part II
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Influence of chemical composition of amide block on the thermal properties and structure of terpolymers
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Fluorescent Tricyclic Analogues of Acyclovir and Ganciclovir. A Structure−Antiviral Activity Study
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublicationNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
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Structure – chiroptical properties relationship of cisoid enones with an α-methylenecyclopentanone unit
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Analysis of molecular structure of starch citrate obtained by a well-stablished method
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The role of intermolecular interactions in stabilizing the structure of the nematic twist-bend phase
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Analysis of the amount of retained austenite in the structure of steel rolls for sheet rolling
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Simulation of damage process of containership's side structure due to collision with a rock
PublicationW artykule przedstawiono wyniki uproszczonego modelowania numerycznego procesu kolizji burty kontenerowca ze skałą. Analiza wyników modelowania pozwala wyciągnąć wnioski o charakterze zjawiska jak również określić obszar i głębokość uszkodzenia wywołanego przez penetrującą skałę w celu doboru wymiarów geometrii i wypełniacza dla drugiej bariery ochronnej.
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Structure elucidation of carbamoylo-β-lactam diastereoisomers by ROESY and NOESY experiments
PublicationRecently we have focused in the problem of preparation of carbamoylo-β-lactams as a result of oxidative cyclization of malonyl enamides. In our experiments we obtain mixture of two main β-lactam products: as a result of subsequent elimination and a second as a product of substitution. All of the produced β-lactams have trans configuration what was confirmed by 1H coupling constants. However id should be stressed that in the case...
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Structure of sol-gel derived Nb2O5 films for active coating devices
PublicationW artykule przedstawiono wyniki badań struktury cienkich warstw nb2o5 otrzymywanych metodą zol-żel. wytworzone warstwy charakteryzowano pod kątem zastosowania jako materiałów na aktywne pokrycia fotoniczne.
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Influence of electric power generator structure on frequency control - mathematical modeliling
PublicationPodstawowym celem pakietu ''3x20'' Unii Europejskiej jest zmniejszenie o 20% emisji dwutlenku węgla. Z tego powodu oczekuje się w Polsce rozwoju energetyki wiatrowej, podobnie jak energetyki jądrowej, a także mini elektrociepłowni. Elektrownie wiatrowe i jądrowe wnoszą specyficzne problemy w regulacji automatycznej częstotliwości systemu elektroenergetycznego. farmy wiatrowe wymagają pod tym względem wspomagania przez elektrownie...
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Photogrammetry image-based approach for imperfect structure modelling and FE analysis
PublicationThis study aims to model and analyse imperfect tructures using real measurements, employing photogrammetry technique commonly used in the geodesy. The study highlights the capability of the photogrammetry in aiding the structural analysis of imperfect engineering objects. Firstly, the photogrammetry measurements of a stiffened plate are carried out using a specially designed for the purpose experimental stand. Then, the plate surface...
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Crystal Structure of N-(2-Benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide
PublicationThe crystal structure of N-(2-benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide indicates that the compound crystallizes in the monoclinic C2/c space group with eight molecules in the unit cell. The heteroatoms from the amide group form a chain of intermolecular N-H ··· O hydrogen bonds propagating along the b axis. The carbonyl group from the benzoyl substituent participates in short contacts with two H-atoms from the ethyl or...
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Magnetic properties of α-KCoPO4 compound with a chiral polar crystal structure
PublicationWe have obtained polycrystalline samples of a metastable α variant of KCoPO4 by low temperature (350–400 °C) solid state metathesis reaction of potassium oxalate and ammonium cobalt orthophosphate. The material crystallizes in a polar chiral structure (sg. P63, no. 173). Measurements of magnetic properties reveal antiferromagnetic interactions and no ordering observed down to T = 1.9 K, well below the Weiss temperature |Θcw| =...
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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublicationThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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Structure and wettability of heterogeneous monomolecular films of phospholipids with cholesterol or lauryl gallate
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Hybrid carbon-TiO2 spheres: Investigation of structure, morphology and spectroscopic studies
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Processing and structure–property relationships of natural rubber/wheat bran biocomposites
PublicationIn this work, wheat bran was used as cellulosic filler in biocomposites based on natural rubber. The impact of wheat bran content [ranging from 10 to 50 parts per hundred rubber (phr)] on processing, structure, dynamic mechanical properties, thermal properties, physico-mechanical properties and morphology of resulting biocomposites was investigated. For better characterization of interfacial interactions between natural rubber...
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The Effect of Calcination Temperature on Structure and Photocatalytic Properties of WO3/TiO2 Nanocomposites
PublicationSeries ofWO3/TiO2 nanocompositeswere obtained by hydrothermal method followed by calcination in the temperature range from 400∘C to 900∘C. The characteristics of photocatalysts by X-ray diffractometry (XRD), scanning electron microscope (SEM), and diffuse reflectance spectroscopy (DRS) showed that increasing the calcination temperature from 400 to 900∘C resulted in change of photocatalytic activity under UV-Vis light.Moreover,...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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The geodetic monitoring of the engineering structure – a practical solution of the problem in 3D space
PublicationThe study raises the issues concerning the automatic system designed for the monitoring of movement of controlled points, located on the roof covering of the Forest Opera in Sopot. It presents the calculation algorithm proposed by authors. It takes into account the specific design and location of the test object. High forest stand makes it difficult to use distant reference points. Hence the reference points used to study the stability...
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Synthesis and structure of Bi 5 FeTi 3 O 15 ceramics
PublicationAim of the present research was to fabricate and study crystal structure and phase composition of Bi5FeTi3O15 (BTFO) ceramics exhibiting Aurivillius - type structure. By means of simultaneous thermal analysis and X-ray diffraction analysis the process of synthesis of BTFO ceramics has been studied. Mixed oxide method followed by pressureless sintering was used for ceramics preparation. Three endothermic thermal effects have been...
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Strength analysis of a large-size supporting structure for an offshore wind turbine
PublicationThe offshore wind power industry is the branch of electric energy production from renewable sources which is most intensively developed in EU countries. At present, there is a tendency to install larger-power wind turbines at larger distances from the seashore, on relatively deep waters. Consequently, technological solutions for new supporting structures intended for deeper water regions are undergoing rapid development now. Various...