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Search results for: NONCENTROSYMMETRIC STRUCTURES
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Electronic structure and charge distribution in DyBa2Cu3O7: The ab initio approach
PublicationW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej nadprzewodzącego materiału DyBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Dy zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Reconstruction of 3D structure of positive corona streamer by local methods
PublicationThe computer algorithms were used for reconstruction of streamer 3D structure. We propose the 3D tree structure model of corona discharge streamer composed with nodes and edges between chosen couples of nodes, which enables easy computation of some important parameters ofstreamers. The 3D model can be derived directly from two projection images by global methods like evolutionary searching or particle simulations. In this paper...
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Variable-structure algorithm for identification of quasi-periodically varying systems
PublicationThe paper presents a variable-structure version of a generalized notchfiltering (GANF) algorithm. Generalized notch filters are used for identification of quasi-periodically varying dynamic systems and can be considered an extension, to the system case, of classical adaptive notch filters. The proposed algorithm is a cascade of two GANF filters: a multiple-frequency "precise" filter bank, used for precise system tracking, and a...
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Modelling and analysis of beam/bar structure by application of bond graphs
PublicationThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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The electronic structure of p-xylylene and its reactivity with vinyl molecules
PublicationThe electronic states of p-xylylene molecule were described at the multi-configurational CASSCF/MRMP2 level of theory. The closed-shell singlet state representing the quinoidal p-xylylene molecule was pre-dicted to be the ground electronic state whereas the triplet (benzoidal) and the singlet open-shell states were found to be much higher in energy (by 159 and 423 kJ/mol, respectively, as found at the CASSCF(8,8)/6-31+G(d) level)....
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Formation of Porous Structure of the Metallic Materials Used on Bone Implants
PublicationResearch on improvement of structure and fabrication methods of the bone implants are carried out for many years. Research are aimed to shape the structures, that will have a Young's modulus value similar to the value of the human bones Young's modulus. Depending on theporosity, Young's moduli can even be tailored to match the modulus of bone closer than solid metals can, thus reducing the problems associated with stress shielding...
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efficient fractional delay hilbert transform filter in the farrow structure
PublicationIn this paper the design and application of a Fractional Delay Hilbert Transform Filter (FDHTF) into an adaptive sub-sample delay estimation between two separated sinusoidal signals is considered. The FDHTF incorporates the functions of Hilbertian and variable fractional delay filtering of the incoming signal simultaneously, in one stage. In traditional approach each of these operations was performed separately. Obtained value...
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Cross-sectional imaging of materials structure using PS-OCT
PublicationOptical low-coherence tomography is a measurement technique for non-contact and non-destructive investigation of materials inner structure. Nowadays, this method is highly applied in medical treatment especially in dermatology and ophthalmology. During our research we have developed an optical low-coherence tomography system with polarization state analysis for structure examination of a broad range of technical materials. In this...
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Synthesis and structure-activity studies of peptide-acridine/acridone conjugates
PublicationW artykule opisano strukturę, syntezę i biologiczną aktywność peptydowych koniugatów akrydyny i akrydonu jako potencjalnych leków o aktywności przeciwnowotworowej i przeciwwirusowej.
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Farrow structure for complex digital Hilbert filter of low complexity
PublicationW pracy przeanalizowano złożoność numeryczną filtru Hilberta (filtr zespolony), złożonego z pary filtrów cyfrowych o zmiennym opóźnieniu ułamkowym, o strukturze Farrowa. Struktura ta pozwala na zmianę opóźnienia ułamkowego na bieżąco, bez potrzeby każdorazowego przeprojektowywania filtru. Zaproponowano algorytmy/struktury wykorzystujące nie tylko symetrię oryginalnej struktury Farrowa, ale również wspólne elementy opóźniające podfiltrów...
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Coupling coefficients for the space group of the hexagonal close-packed structure
PublicationWe have computed the Clebsch-Gordan coefficients of the representations for the space group of the hexagonal close-packed structure for the points:V, A, H, K, L, M. We enumerate all arms of the wave vector stars and all wave vector selection rules.
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Investigation of hyperfine structure of several major lines in PbI and PbII
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Hyperfine structure and isotope shift study in singly ionized lead
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Tests of local strains in steel laser - welded sandwich structure
PublicationW publikacji zaprezentowano rezultaty badań odkształceń w strefie spoiny laserowej konstrukcji sandwich. Pokazano obiekt badań, metodykę i oprzyrządowanie oraz proces rejestracji. Przedstawiono uzyskane wyniki i wnioski z nich wypływające.
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FEM strength analysis of sandwich panels for ship structure applications
PublicationW publikacji zaprezentowano wyniki analizy numerycznej stalowego panelu sandwich obciążonego siłami ściskającymi wzdłuż laserowo spawanych usztywnień. Przedstawiono sposób modelowania, pokazano i przedyskutowano uzyskane rezultaty.
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Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13
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Quantitative structure-(chromatographic) retention relationship models for dissociating compounds
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Hydrothermal, microwave and mechanochemical modification of amorphous zirconium phosphate structure
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Modification of Tin Phosphate Nanoporous Structure under Hydrothermal Conditions
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Analysis of structure and properties of DVB–GMA based porous polymers
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Membrane structure and interactions of peptide hormones with model lipid bilayers
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Pasta Fortified with Potato Juice: Structure, Quality, and Consumer Acceptance
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Dendrimer Structure Diversity and Tailorability as a Way to Fight Infectious Diseases
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Finely comminuted frankfurters fortified with potato juice – Quality and structure
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Controlled Drug Release by the Pore Structure in Polydimethylsiloxane Transdermal Patches
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THE INFLUENCE OF THE TYPE SOLVENT ON THE STRUCTURE OF CHITOSAN BLENDS WITH HYALURONIC ACID
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Energy Level Structure of Bi3+ in Zircon and Scheelite Polymorphs of YVO4
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Magnetic structure and properties of theS=5∕2triangular antiferromagnetα−NaFeO2
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Coupling coefficients for the space group of the hexagonal close-packed structure
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Tuning the sumanene receptor structure towards the development of potentiometric sensors
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Temperature-induced changes of HtrA2(Omi) protease activity and structure
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Research Progress and Knowledge Structure of Inclusive Growth: A Bibliometric Analysis
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Symmetrical and unsymmetrical azomethines with thiophene core: structure–properties investigations
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Polymerization and Structure of Opposing Polymer Brushes Studied by Computer Simulations
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Quality Structure of the Noctuidae Family in Selected Habitats of the Agricultural Landscape
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Cadmium inhibitory action leads to changes in structure of ferredoxin:NADP+ oxidoreductase
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Structure and function of natural proteins for water transport: general discussion
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The Relationship between the Structure and Properties of Amino Acid Ionic Liquids
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Thyroid Peroxidase as an Autoantigen in Hashimoto’s Disease: Structure, Function, and Antigenicity
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Transition Metal Oxides influence on phosphate and borate glasses structure
PublicationBorate and phosphate glasses possess many potential luminescence and optical applications. With their low melting point, they are one of the most often studied amorphous materials. In recent years these glasses, doped with transition metal oxides (TMO), gained much attention due to their tunable structural and thermal properties. Review of systems containing TMOs was presented. Additionally synthesis of binary MnO-P2O5 and MnO-B2O3...
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Resonance in Rectangular Microstrip Structure Loaded with a Pseudochiral Medium Layer
PublicationA rectangular microstrip structure with multilayer substrate containing dielectric and pseudochiral medium layers is studied in this paper. The effect of Omega medium layer location in the substrate and its thickness on the complex resonant frequency of the rectangular microstrip structure is investigated.
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Behaviour of Asymmetric Structure with Base Isolation Made of Polymeric Bearings
PublicationEarthquake-induced ground motions are the most severe and unpredictable threats to the structures all around the world. Seismic excitations cause a lot of damage in a wide variety of ways, leaving thousands of casualties in their wake. Due to randomness of earthquake occurrence, lack of visible causes and their power of destructiveness, structural engineers need to develop new technical solutions and protection systems against...
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An Analysis of Elliptical-Rectangular Patch Structure on Multilayer Elliptic Cylinders
PublicationThe resonance frequency problem of an ellipticalrectangular patch mounted on multilayered dielectric coated elliptic conducting cylinder, is investigated in this paper. A fullwave analysis and a moment-method calculation are employed. The analysis is carried out considering the expansion of the field as a series of Mathieu functions. An additional theorem for Mathieu functions is utilized to investigate the non-confocal ellipse...
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublicationIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Fentanyl Structure as a Scaffold for Opioid/Non-Opioid Multitarget Analgesics
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Human adenylate kinases – classification, structure, physiological and pathological importance
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Photometric Properties of Retroreflective Materials in Dependence on their Structure and Angle of Illumination
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Influence of Glycols on the Glycolysis Process and the Structure and Properties of Polyurethane Elastomers
PublicationW pracy omówiono wyniki badań elastomerów wytworzonych z glikolizatów poddanych dezaminacji. Glikolizaty otrzymywano w procesie transestryfikacji polieterouretanów glikolami: propano-1,3-diolem, pentano-1,5-diolem oraz heksano-1,6-diolem. Procesy prowadzono przy trzech stosunkach masowych pianki:glikolu.
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublicationLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...