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Search results for: ELECTRON-POTENTIAL SCATTERING
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Iridium 5d -electron driven superconductivity in ThIr3
PublicationA polycrystalline sample of superconducting ThI r 3 was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: a = 5.3394 ( 1 ) Å and c = 26.4228 ( 8 ) Å . Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results...
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A large family of filled skutterudites stabilized by electron count
PublicationThe Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublicationThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Electron detachment energies in high-symmetry alkali halide solvated-electron anions
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Electron attachment and electron iozization of acetic acid clusters embedded in helium nanodroplets
PublicationThe effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic productsejected in to the gas phase aredetected by mass spectrometry.
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RAMAN SCATTERING TENSORS FOR ICE Ih
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Scattering of electrons from acetaldehyde and acetone
PublicationZmierzono całkowity przekrój czynny (TCS) na rozproszenie elektronów na drobinach acetaldehydu (CH3)CHO oraz acetonu (CH3)2CHO w zakresie energii zderzenia 0.7 - 400 eV. Charakter otrzymanych zależności energetycznych TCS jest typowy dla drobin o wysokim momencie dipolowym. Wyniki porównano z przekrojami czynnymi dla izomerów cyklicznych odpowiadających obu drobinom.
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Synthesis and properties of azobenzocrown ethers with pi-electron donor, or pi-electron donor and pi-electron acceptor group(s) on benzene rings
PublicationZsyntezowano nowe etery azobenzokoronowe o różnej wielkości makropierścienia i z różnymi podstawnikami w resztach benzenowych. Korony te posiadają w pierścieniach benzenowych, w pozycji para do grupy azo grupy funkcyjne o charakterze π-elektronodonorowym lub π-elektronoakceptorowym. Zbadano zdolność kompleksowania jonów metali przez te korony, w roztworze, metodą spektrofotometrii UV-vis. Ustalono strukturę 19-członowego eteru...
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CENTRAL-FORCE DECOMPOSITION OF THE TERSOFF POTENTIAL
PublicationCentral forces play important role in the analysis of results obtained with particle simulation methods, since they allow evaluating stress fields. In this work we derive expressions for a central-force decompositon of the Tersoff potential, which is often used to describe interatomic interactions in covalently bonded materials. We simplify the obtained expressions and discuss their properties.
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Structural change of carbon supported Pt nanocatalyst subjected to a step-like potential cycling in PEM FC
PublicationIn this paper we present detailed X-ray absorption fine structure (XAFS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) investigations of the changes in the local geometric and electronic structure of Pt nanoparticles used as a cathode catalyst in proton exchange membrane fuel cell (PEMFC), working under controlled potential cycling conditions.
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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Water Solubilization Using Nonionic Surfactants from Renewable Sources in Microemulsion Systems
PublicationIn this study the effect of temperature, NaCl andoils (hydrocarbons: C8-C16) on the formation and solubilizationcapacity of the systems of oil/monoacylglycerols(MAG):ethoxylated fatty alcohols (CEO20)/propylene glycol(PG)/water was investigated. The effects of the surfactantmixture on the phase behavior and the concentration ofwater or oil in the systems were studied at three temperatures(50, 55, 60 C) and with varied NaCl solutions...
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Latent fingerprint imaging by spectroscopic optical coherence tomography
PublicationOptical coherence tomography (OCT) is a non-contact and non-invasive optical method for evaluating semitransparent and scattering objects. Its unique features, such as non-destructive 3D measurements of tested objects with a fast scanning rate, make this technique interesting for latent fingerprint reading, which is the subject of this paper. So far, OCT has not found widespread use for reading fingerprints directly from surfaces...
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Hydration of Oxometallate Ions in Aqueous Solution
PublicationThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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Potential direction of changes in tax incentives
Open Research DataThe study conducted on a group of 259 entrepreneurs concerned exploring the potential direction of changes in the scope of the tax incentive system in Poland. The results of the study include answers to questions about the mechanisms of tax reliefs used so far, as well as the potentialn direction of changes in this respect.
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Potential changes in an electric field and electrolytic corrosion.
PublicationSources have been described of corrosively hazardous electric fields and methods of determination of the corrosion hazard to metal structures caused by electrolytic corrosion. Results of potential and impedance investigations in the field of stray currents flowing out of a tram traction and in the presence of a defined electric field of low frequency have been presented. Uncertainties have been indicated relating to the generally...
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Ball milling treatment of Mn3O4 regulates electron transfer pathway for peroxymonosulfate activation
PublicationHeterogeneous metal catalysts have attracted considerable interest in advanced oxidation processes (AOPs) for wastewater treatment by activating peroxymonosulfate (PMS). However, it remains challenging to the rational design of efficient reaction pathway for high-performance contaminants removal by regulating the inherent structure of metal oxides. Herein, a high-energy ball milling method was employed to modulate the electronic...
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DES - polarity, pH and antioxidant potential
Open Research DataThis physicochemical properties of selected deep eutectic solvents (DES) were tested. Polarity is important for extraction efficiency. The values of pH can importantly affect growing of bacteria and yeasts strains. Total phenolic content, DPPH and FRAP methods were used for determination of antioxidant potential of the extract produced with DES.
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Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublicationThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Electron-difusion coefficiens in N2O
PublicationW pracy przedstawiono wyniki pomiarów stosunku współczynników dyfuzji poprzecznych i podłużnych do ruchliwości i prędkość dryfu elektronów jako funkcję zredukowanego pola elektrycznego w N2O. Współczynniki dyfuzji wyznaczono stosując metodę Towsenda-Huxleya; prędkość dryfu otrzymano używając techniki Bradbury-Nielsen. Całkowitych i częściowych przekrojów czynnych użyto do obliczenia współczynników metodą numeryczną.
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Electron Technology – ELTE 2013
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Therapeutic Potential of Multifunctional Tacrine Analogues
PublicationTacrine is a potent inhibitor of cholinesterases (acetylcholinesterase and butyrylcholinesterase) that shows limiting clinical application by liver toxicity. In spite of this, analogues of tacrine are considered as a model inhibitor of cholinesterases in the therapy of Alzheimer’s disease. The interest in these compounds is mainly related to a high variety of their structure and biological properties. In the present review, we...
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SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of nickel (Ni) foam as received, after photocatalysis and after oxidation at 500_C.
Open Research DataThis dataset contains SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of Ni (nickel) foam as received from the supplier, after photocatalytic treatment and after oxidation at 500C. The detailed equipment and measurement data was described in "readme SEM.txt" file
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Self-organized multilayered graphene-boron doped diamond hybrid nanowalls for high performance electron emission devices
PublicationCarbon nanomaterials like nanotubes, nanoflakes/nanowalls and graphene have been used as electron sources due to their superior field electron emission (FEE) characteristics. Nevertheless, these materials show poor stability and a short lifetime, preventing them from being used in practical device applications. The intention of this study was to find an innovative nanomaterial, possessing both high robustness and reliable FEE behavior....
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Evaluation of the content of zinc compounds in polyethylene films using scanning electron microscopy
Open Research DataThe dataset contains the results of in the form of micrographs made using a scanning electron microscope (SEM) S–3400N (Hitachi, Hyogo, Japan) using backscattered electron (BSE) detector. SEM was equipped with tungsten filament. The accelerating voltage was 25 kV. Utilization of BSE detector allowed to increase the contrast of local areas varying in...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Data-Driven Surrogate-Assisted Optimization of Metamaterial-Based Filtenna Using Deep Learning
PublicationIn this work, a computationally efficient method based on data driven surrogate models is pro-posed for the design optimization procedure of a Frequency Selective Surface (FSS)-based filtering antenna (Filtenna). A Filtenna acts as a as module that simultaneously pre-filters unwanted sig-nals, and enhances the desired signals at the operating frequency. However, due to a typically large number of design variables of FSS unit elements,...
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Effect of alkyl sulfate on the phase behavior of microemulsions stabilized with monoacylglycerols
PublicationIn this study the effect of an anionic surfactant (sodium dodecyl sulfate SDS) and oils (hydrocarbons: C12-C16) on the formation and phase behavior of the systems of oil/monoacylglycerols (MAG):SDS/propylene glycol/water has been investigated. The effects of the surfactant mixture on the phase behavior and the concentrationof water or oil in the systems were studied at three temperatures (50, 55, 60 C). Electrical conductivity...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublicationThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Ce site dilution effects in the antiferromagnetic heavy fermion CeIn3
PublicationLa-doped intermetallic single crystals of Ce1−xLaxIn3 were synthesized via an In self-flux method throughout the entire range (x = 0–1). The prototypical heavy-fermion compound CeIn3 shows an antiferromagnetic phase transition at 10.1 K and becomes superconducting near a critical pressure where TN is completely suppressed. As the La concentration increases, Ce moments are diluted, and the lattice constant increases linearly, satisfying Vegard’s...
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GPR investigation of the strengthening system of a historic masonry tower
PublicationIn this paper the condition assessment of the strengthening system of a masonry tower was carried out by the GPR method. The study provided unique experimental data acquired during measurements of the reinforced concrete frame embedded in masonry walls. Conducted numerical and experimental investigations were focused on the phenomenon of the diffraction-refraction scattering of the electromagnetic energy. A hyperbola resulting...
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Coda wave interferometry in monitoring the fracture process of concrete beams under bending test
PublicationEarly detection of damage is necessary for the safe and reliable use of civil engineering structures made of concrete. Recently, the identification of micro-cracks in concrete has become an area of growing interest, especially using wave-based techniques. In this paper, a non-destructive testing approach for the characterization of the fracture process was presented. Experimental tests were made on concrete beams subjected to mechanical...
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The scanning electron microscopy (SEM) studies of low voltage copper cables
Open Research DataThe dataset contains the scanning electron microscopy (SEM) images of the low voltage copper cables, which were studied in the article discussing the regulatory requirements for checking the electrical resistance of such cables. The cables were cut and studies in cross-section. The full results were published in:
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Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublicationThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
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The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublicationIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
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New potential functions for greedy independence and coloring
PublicationA potential function $f_G$ of a finite, simple and undirected graph $G=(V,E)$ is an arbitrary function $f_G : V(G) \rightarrow \mathbb{N}_0$ that assigns a nonnegative integer to every vertex of a graph $G$. In this paper we define the iterative process of computing the step potential function $q_G$ such that $q_G(v)\leq d_G(v)$ for all $v\in V(G)$. We use this function in the development of new Caro-Wei-type and Brooks-type...
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Determination of terpene profiles in potential superfruits
PublicationThe aim of this work was to characterize and compare the profiles of volatile terpenes in four potential superfruits. These profiles were determined using headspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography linked to time-of-flight mass spectrometry. The proposed technique allowed the separation and identification of 79 terpenes present in cape gooseberry, crabapple, cherry silver...
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Plane wave scattering by an array of metamaterial cylinders
PublicationMetodę dopasowania rodzajów zastosowano do połączenia zastępczego pola rozproszonego od dowolnej konfiguracji prętów dielektrycznych lub wykonanych z metamateriału z pobudzeniem falą płaską. Zaprezentowano charakterystyki rozpraszania w strefie dalekiej dla jednego i dwóch prętów dielektrycznych lub wykonanych z metamateriału przy pobudzeniu falą płaską.
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Oblique scattering by an array of conducting and dielectric cylinders
PublicationMetodę dopasowania rodzajów zastosowano do połączenia zastępczego pola rozproszonego od dowolnej konfiguracji prętów metalowych i dielektrycznych z falą płaską padającą pod dowolnym kątem na określoną strukturę. Zaprezentowano charakterystyki rozpraszania w strefie dalekiej dla konfiguracji czterech, pięciu i siedmiu prętów metalowych i dielektrycznych umieszczonych w cylindrycznym obszarze wypełnionym dielektrykiem przy skośnym...
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Plane Wave Scattering by Bow-Tie Posts.
PublicationRozwinięcie teorii rozpraszania w wolnej przestrzeni na cylindrycznych obiektach typu "Bow-Tie" pobudzanych falą płaską przy użyciu zmodyfikowanej procedury iteracyjnej i metody dopasowania rodzajów. Wynikiem analizy są charakterystyki pola rozproszonego w strefie bliskiej i dalekiej. Struktura typu "Bow-Tie" składa się z dwóch wycinków metalowego cylindra połączonych dielektrycznym lub metalowych cylindrem. W odróżnieniu zwykłych...
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Scattering by parallel cylindrical posts with conducting strips.
PublicationRozwinięto teorię rozpraszania fali elektromagnetycznej w obszarach otwartych i zamkniętych na metalizowanych obiektach cylindrycznych przy użyciu zmodyfikowanej procedury iteracyjnej i metody dopasowania rodzajów. W wyniku analizy uzyskano pole rozproszone w przypadku struktur otwartych oraz odpowiedzi częstotliwościowe współczynników odbicia i transmisji w prostokątnych złączach falowodowych. Obrót i przemieszczenie opisywane...
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Plane wave scattering by an array of circular cylinders
PublicationMetodę dopasowania rodzajów zastosowano do połączenia zastępczego pola rozproszonego od dowolnej konfiguracji dwuwarstwowych prętów ferrytowych i dielektrycznych z pobudzeniem falą płaską. Zaprezentowano charakterystyki rozpraszania zarówno w strefie dalekiej jaki i bliskiej dla kilku konfiguracji prętów przy pobudzeniu falą płaską.
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Raman scattering tensors for translational vibrations of ice
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