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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Computing algebraic transfer entropy and coupling directions via transcripts
PublikacjaMost random processes studied in nonlinear time series analysis take values on sets endowed with a group structure, e.g., the real and rational numbers, and the integers. This fact allows to associate with each pair of group elements a third element, called their transcript, which is defined as the product of the second element in the pair times the first one. The transfer entropy of two such processes is called algebraic transfer...
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In silico assessment and sonochemical synthesis of 2-alkynyl 3-chloropyrazines as prospective ligands for SARS-CoV-2
PublikacjaThe recent global pandemic caused by COVID-19 has triggered an intense effort worldwide towards the development of an effective cure for this disease. In our effort we have explored the 2-alkynyl substituted 3-chloropyrazine framework as a potential template for the design of molecules for this purpose. Our strategy was supported by the in silico studies of representative compounds to assess their binding affinities via docking...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublikacjaIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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Effect of Cyclodextrins on Coupling of o-Ethoxybenzenediazonium Salt with Pyrrole, Imidazole and 2-Methylimidazole
PublikacjaThe effect of b-cyclodextrin on o-ethoxybenzenediazonium salt coupling with pyrrole, imidazole and 2-methylimidazole has been studied. The differences in the reaction course, the overall yield and products distribution have been analyzed. Experiments without cyclodextrins and selected reactions with a- and c-cyclodextrins have been performed for comparison. The results are discussed in terms of co-conformation of azole molecules...
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Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublikacjaIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
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Inline Waveguide Filter With Transmission Zeros Using a Modified-T-Shaped-Post Coupling Inverter
PublikacjaThis letter reports the design techniques for a class 2 of inline waveguide bandpass filters with sharp-rejection capabil3 ities at the lower stopband based on a novel nonlinear-frequency4 variant-coupling (NFVC) structure. The proposed NFVC consists 5 of a modified-T-shaped metallic post (MTP) that is placed at the 6 center of the waveguide broad wall with its open arms lying 7 along the waveguide width. The engineered NFVC structure 8...
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Modifications at the C(5) position of pyrimidine nucleosides
PublikacjaThis review summarizes the state of knowledge on the chemical methods of C(5)-modifications of uridine and cytidine derivatives and may serve as a useful tool for synthetic chemists to choose an appropriate reaction protocol. The synthesis of 5-substituted uracil derivatives is gaining an increasing interest because of their possible applications in medicine and pharmacy. Modifications at the C(5) position of pyrimidine nucleosides...
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Mutual Coupling Reduction in Antenna Arrays Using Artificial Intelligence Approach and Inverse Neural Network Surrogates
PublikacjaThis paper presents a novel approach to reduce undesirable coupling in antenna arrays using custom-designed resonators and inverse surrogate modeling. To illustrate the concept, two stand-ard patch antenna cells with 0.07λ edge-to-edge distance are designed and fabricated to operate at 2.45 GHz. A stepped-impedance resonator is applied between the antennas to suppress their mutual coupling. For the first time, the optimum values...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublikacjaMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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Step on It Bringing Fullwave Finite-Element Microwave Filter Design up to Speed
PublikacjaThere are many steps in the design of a microwave filter: mathematically describing the filter characteristics, representing the circuit as a network of lumped elements or as a coupling matrix, implementing the distributed elements, finding the initial dimensions of the physical structure, and carrying out numerical tuning using electromagnetic (EM) simulators. The whole process is painstaking and time-consuming, and it requires...
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Bandwidth-Controllable Third-Order Band Pass Filter Using Substrate Integrated Full- and Semi-Circular Cavities
PublikacjaThe article presents a novel circular substrate integrated waveguide (SIW) bandpass filter (BPF) with controllable bandwidth. The proposed BPF is configured using two microstrip feedlines, semi- circular SIW cavities, capacitive slots, and inductive vias. The circular cavity is bisected into two halves, with the two copies thereof being cascaded. Two bisected and cascaded structures obtained this way are subsequently connected...
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Od modelu biznesu przedsiębiorstwa do modelu biznesu organizacji publicznej
PublikacjaZadowolenie obywateli z jakości życia jest związane z poziomem zaspokajania ich potrzeb, wśród których występuje możliwość korzystania z dóbr publicznych. Wiąże się to z dostępem do usług publicznych. Gospodarzami w zakresie świadczenia tych usług są organizacji publiczne. Zatem z rozumowania logicznego wynika, że wzrost zadowolenia mieszkańców może nastąpić wówczas, gdy podniesie się dostępność i poziom jakości usług publicznych....
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SPECTRAL RESPONSE OF STATIONARY JACK-UP PLATFORMS LOADED BY SEA WAVES AND WIND USING PERTURBATION METHOD
PublikacjaThe paper addresses non-linear vibrations of offshore jack-up drilling platforms loaded by sea waves and wind in their stationary condition using the perturbation method. Non-linearity of dynamic equations of motion for fixed offshore platforms yields from two factors. The first is load excitation generating non-linear velocity coupling in a dynamic system. This coupling is inherent in the modified Morison equation, involving the...
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Coupling transformation of carbon, nitrogen and sulfur in a long-term operated full-scale constructed wetland
PublikacjaThe coupling transformation of carbon, nitrogen and sulfur compounds has been studied in lab-scale and pilot-scale constructed wetlands (CWs), but few studies investigated full-scale CW. In this study, we used batch experiments to investigate the potentials of carbon, nitrogen and sulfur transformation in a long-term operated, full-scale horizontal subsurface flow wetland. The sediments collected from the HSFW were incubated for...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublikacjaThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Enhanced interfacial and mechanical performance of styrene-butadiene rubber/silica composites compatibilized by soybean oil derived silanized plasticization
PublikacjaSilanized plasticizer (SP) was chemically derived and synthesized from soybean oil (SBO) co-vulcanized with bis-(3-(triethoxysilyl)-propyl) tetrasulfide (TESPT) by using the sulfur-accelerated curing system. SP extended styrene-butadiene rubber (SBR)/silica composites have been studied for their improved filler dispersion through coupling interaction at the SBR/silica interface. The effect of SP on cross-link density, thermal,...
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SYNTHESIS-STUTTGART
Czasopisma -
Checkpoints that regulate balanced biosynthesis of lipopolysaccharide and its essentiality in Escherichia coli
PublikacjaThe outer membrane (OM) of Gram-negative bacteria, such as Escherichia coli, is essential for their viability. Lipopolysaccharide (LPS) constitutes the major component of OM, providing the permeability barrier, and a tight balance exists between LPS and phospholipids amounts as both of these essential components use a common metabolic precursor. Hence, checkpoints are in place, right from the regulation of the first committed step...
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Synthetic strategies in construction of organic macromolecular carrier–drug conjugates
PublikacjaMany metabolic inhibitors, considered potential antimicrobial or anticancer drug candidates, exhibit verylimited ability to cross the biological membranes of target cells. The restricted cellular penetration ofthose molecules is often due to their highhydrophilicity. One of the possible solutions to this problem is aconjugation of an inhibitor with a molecular organic nanocarrier. The conjugate thus formed should beable to penetrate...
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Two examples of Quantum Dynamical Semigroups
PublikacjaThe Hamiltonians of the considered bi-partite systems are of the form $$ H_{S,R} = H_S /times 1_R + Q_{S} /times M_R + 1_S /times H_R $$ Subindex $S$ corresponds to the observed system and $R$ to the reservoir (the enviroment of $S$). Two classes of systems are distinguished: the discrete-continuous...
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Resonances and Dissociative Electron Attachment in HNCO
PublikacjaIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Chromogenic macrocyclic derivatives of azoles - synthesis and properties,
PublikacjaNew 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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Detecting coupling directions with transcript mutual information: A comparative study
PublikacjaCausal relationships are important to understand the dynamics of coupled processes and, moreover, to influence or control the effects by acting on the causes. Among the different approaches to determine cause-effect relationships and, in particular, coupling directions in interacting random or deterministic processes, we focus in this paper on information-theoretic measures. So, we study in the theoretical part the difference between...
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New bulk liquid membrane oscillator composed of two coupled oscillators with diffusion-mediated physical coupling
PublikacjaA new type of bulk liquid membrane system, which represents the first example of a bulk liquid membrane oscillator characterised by the presence of two coupled oscillators, is described. When the benzyldimethyltetradecylammonium chloride surfactant undergoes an oscillatory mass transfer through a nitromethane liquid membrane, a new liquid layer (phase X) appears between the membrane and the acceptor phase. Kinetic analysis provides...
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Ultrasound assisted extraction
PublikacjaThe use of green and sustainable extraction techniques is very popular topic in the multidisciplinary area of chemistry, biology and technology. There is no doubt that extraction constitutes a very important step of analytical procedures of separation, detection, identification and determination of wide spectrum analytes from samples characterized by complex and very often nonhomogeneous composition of matrix. Traditional techniques...
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Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer
PublikacjaThis study proposed an approach to dynamic wireless charging that uses a rotating receiver coil. Our simulation study focused on the verification of a novel way of increasing the coupling coefficient and power transfer stability by following the flux of the transmitting coils. To obtain the highest possible coupling by means of the FEM analysis, we studied the optimization of the trajectory of the angular velocity of the rotating...
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A Trisection Filter Design With Negative Slope of Frequency-Dependent Crosscoupling Implemented in Substrate Integrated Waveguide (SIW)
PublikacjaThis letter reports on a novel realization of a microwave bandpass filter in a triplet configuration with a frequency-dependent crosscoupling implemented in substrate integrated waveguide (SIW). The design involves implementing dispersive coupling with a negative slope, a feature that allows the capabilities of the classic triplet topology to be extended. In this particular case, the implementation of two transmission zeros on...
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Extending the Frequency Limit of Microstrip-Coupled CSRR Using Asymmetry
PublikacjaAbstract— This article explains the frequency limitation in designing microstrip circuits based on a complementary split-ring resonator (CSRR) and reports a novel technique for increasing its operating frequency, which makes the CSRR suitable for high-frequency applications. This study helps in synthesizing the dimensions of symmetric CSRR (SCSRR) and asymmetric CSRR (ACSRR) circuits, which shows the applicability of the proposed...
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublikacjaNew 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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Fluid–solid interaction on a thin platelet with high-velocity flow: vibration modelling and experiment
PublikacjaThe paper concerns the nonlinear behaviour of a thin platelet that is streamlined in an aerodynamic tunnel. The air velocity in the aerodynamic tunnel was at 858.9 km/h or 0.7 Ma (Ma—Mach number is a dimensionless quantity in fluid dynamics representing the ratio of flow velocity past a boundary to the local speed of sound). This experiment was numerically simulated using FSI (fluid–solid interaction) tools, namely the coupling...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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A Novel Versatile Decoupling Structure and Expedited Inverse-Model-Based Re-Design Procedure for Compact Single-and Dual-Band MIMO Antennas
PublikacjaMultiple-input multiple-output (MIMO) antennas are considered to be the key components of fifth generation (5G) mobile communications. One of the challenges pertinent to the design of highly integrated MIMO structures is to minimize the mutual coupling among the antenna elements. The latter arises from two sources, the coupling in the free space and the coupling currents propagating on a ground plane. In this paper, an array of...
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CFD COUPLING OF VOF MODEL WITH ARRHENIUS EQUATION FOR ANALYSIS OF LASER-INDUCED THERMAL DEACTIVATION OF E. COLI
PublikacjaUnderstanding bacterial deactivation at the micro-scale, particularly with E. coli, is crucial for advancing microbiology and has promising applications in biomedical research. In this research contribution, we investigate the thermal inactivation of E. coli bacteria using gold nanoparticles irradiated by a green 1-W laser within a microfluidic chamber. The microfluidic device comprises a fluidic chamber filled with a thin film...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublikacjaSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublikacjaSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
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The Taste of Waste: The Edge of Eggshell Over Calcium Carbonate in Acrylonitrile Butadiene Rubber
PublikacjaRubber technology experiences a new age by the use of biowaste or natural fillers. In this regard, taking properties of reinforcing agents from biowaste fillers remains as the challenging matter. Chicken eggshell (ES) biowaste has recently been introduced to substitute calcium carbonate (CaCO3) duo to its superior properties and low price. In this work, composites based on acrylonitrile butadiene rubber (NBR) reinforced with ES...
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UWB Microstrip Antennas on a Cylindrical Surfaces
PublikacjaConformal antennas are becoming popular due to their many advantages and possibilities of applications they offer. The advantages of using antennas with a curved surface arise not only from the possibility of integrating them with the object on which they are mounted on but also from the increase, relatively to planar antennas, of their visible angular range. The circular antenna arrays, or arrays of radiators located on the surface...
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Investigation of polyurethane elastomer–steel joints using glass lacquer as an adhesive agent
PublikacjaThis article describes an innovative method of coupling polyurethane elastomer (based on polyurethane glycolysate) with constructional steel, by implementation of a Glaspur®—glass lacquer containing latent polyurethanes and monosilane adhesion promoters. The commonly applied coupling agent is Cilbond® 45SF glue or its derivatives. Additionally, glycolysate was synthesised from polyurethane waste and 1,3-propylene glycol in 6:1...
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Superconductivity in the niobium-rich compound Nb5Se4
PublikacjaThe niobium rich selenide compound Nb5Se4 was synthesized at ambient pressure by high-temperature solid–state reaction in a sealed Ta tube. Resistivity and heat capacity measurements reveal that this compound is superconducting, with a Tc = 1.85K. The electronic contribution to the specific heat γ and the Debye temperature are found to be 18.1 mJmol−1K−2 and 298 K respectively. The calculated electron-phonon coupling constant λep...
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Synthesis and antimicrobial activity of amino acid and peptide derivatives of mycophenolic acid
PublikacjaThe series of 16 novel amino acid and peptide mycophenolic acid (MPA) derivatives was obtained as potential antibacterial agents. Coupling of MPA with respective amines was optimized with condensing reagents such as EDCI/DMAP and T3P/TEA. Amino acid analogs were received both as methyl esters and also with the free carboxylic group. The biological activity of the products was tested on five references bacterial strains: Klebsiella...
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Superconductivity in CaBi2
PublikacjaSuperconductivity is observed with critical temperature Tc = 2.0 K in self-flux-grown single crystals of CaBi2. This material adopts the ZrSi2 structure type with lattice parameters a = 4.696(1) Å, b = 17.081(2) Å and c = 4.611(1) Å. The crystals of CaBi2 were studied by means of magnetic susceptibility, specific heat and electrical resistivity measurements. The heat capacity jump at Tc is DC/gTc = 1.41, confirming bulk superconductivity;...
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Compact, Order Extensible and Wide-Stopband Bandpass Filter Based on SIW Cavity with Rectangular Ring Slot
PublikacjaThis article introduces novel architectures of bandpass filters (BPFs) using a substrate integrated waveguide (SIW) cavity with a rectangular ring slot (RRS) for compact size, extensible order, and broad stopband responses. Two bandpass filters, which demonstrate a second-and a fourth-order Chebyshev response, respectively, are realized by employing identical cavities with RRS, without increasing the physical size of the circuit....
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Accelerated design optimization of miniaturized microwave passives by design reusing and Kriging interpolation surrogates
PublikacjaElectromagnetic (EM) analysis has become ubiquitous in the design of microwave components and systems. One of the reasons is the increasing topological complexity of the circuits. Their reliable evaluation—at least at the design closure stage—can no longer be carried out using analytical or equivalent network representations. This is especially pertinent to miniaturized structures, where considerable EM cross-coupling effects occurring...
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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Quasi-controlled Experimentations on the Impact of AOP on Software Comprehensibility
PublikacjaAspect-oriented programming (AOP) emerged as a paradigm to modularize the concerns that lead to interwoven code if implemented using traditional programming techniques. Unfortunately, the new constructs introduced by aspect-oriented (AO) languages result in both: (1) obstacles in modular reasoning, and (2) high coupling between aspects and the augmented modules. There have been numerous attempts to tackle these issues, but none...
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Soft-mode enhanced type-I superconductivity in LiPd2Ge
PublikacjaThe synthesis, crystal structure, and physical properties (magnetization, resistivity, heat capacity) in combination with theoretical calculations of the electronic structure and phonon properties are reported for intermetallic compounds LiPd2X (X = Si, Ge, and Sn). LeBail refinement of powder x-ray diffraction data confirms that all compounds belong to the Heusler family (space group Fm-3m, No. 225). The lattice parameter increases...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublikacjaThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Microwave Characterization of Dielectric Sheets in a Plano-Concave Fabry-Perot Open Resonator
PublikacjaDespite its long history, a double-concave (DC) Fabry-Perot open resonator (FPOR) has recently gained popularity in the characterization of dielectrics in the 20–110 GHz range, mainly due to such novel accomplishments as full automation of the measurement process and the development of even ore accurate and computationally efficient electromagnetic model. However, it has been discovered that such a DC resonator suffers from unwanted...