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Wyniki wyszukiwania dla: FIELD-MOLECULE INTERACTION
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FE analysis of support-specimen interaction of compressive experimental test
PublikacjaThe objective of this work is to investigate the support-specimen interaction during the compressive experimental testing of stiffened plates. The interaction is analyzed employing the nonlinear Finite Element Method using the commercial software ANSYS. The connection between the stiffened plate and testing supports is modelled with the use of contact elements, where several possible interaction scenarios are investigated, and...
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Interaction between acoustic and non-acoustic mode in bubbly liquid
PublikacjaThe nonlinear interaction of acoustic and entropy modes in a bubbly liquid is the subject of investigation. Thedynamic equation governing an excess density of the entropy mode is derived. Nonlinearity and dispersion are the reasons forexcitation of the entropy mode. The nonlinear interaction of modes as a reason for bubble to grow due to sound, is discovered.Some numerical examples of the modes interactions are made.
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Child-Robot Interaction Studies During COVID-19 Pandemic
PublikacjaThe coronavirus disease (COVID-19) pandemic affected our lives deeply, just like everyone else, the children also suffered from the restrictions due to COVID-19 affecting their education and social interactions with others, being restricted from play areas and schools for a long time. Although social robots provide a promising solution to support children in their education, healthcare, and social interaction with others, the precautions...
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Multisource model of ship electric field
PublikacjaA steel-hulled ship in sea water produces an electric field around itself. The source of this field are electrochemical processes and ship's cathodic protection. The analysis of the electric field around the ship is important by the reason of the ship's identification and counter-mine protection. The paper presents a simplified model of the ship's multisource electric field, which allows to calculate the electric field distribution...
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Analysis of magnetic field of Helmholtz's coils
PublikacjaThe 3-axis fluxgate magnetometer requires conducting a precise calibration in the magnetic field whose value is determined and which is characterized by the high uniformity of the distribution of the field, especially along the axis of the sensors. The generation of the magnetostatic field characterized by the high uniformity, can be achieved by using the Helmholtz's coils. The requirements of the uniformity of distribution of...
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Multidipoles model of ship's magnetic field
PublikacjaShips made of ferromagnetic metals interfere with Earth's magnetic field in their surrounding. The disturbance of the magnetic field makes possible localization and even identification of the ship, which could determine a threat to the ship. The measurement of the magnetic field around the ship enables to determine its magnetic signature. The paper presents a multidipoles model of the ship magnetic field, which allows to determine...
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Multidipoles model of ship's magnetic field
PublikacjaShips made of ferromagnetic metals interfere with Earth's magnetic field in their surrounding. The disturbance of the magnetic field makes possible localization and even identification of the ship, which could determine a threat to the ship. The measurement of the magnetic field around the ship enables to determine its magnetic signature. The paper presents a multidipoles model of the ship magnetic field, which allows to determine...
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Sensitivity of entanglement decay of quantum-dot spin qubits to the external magnetic field
PublikacjaWe study the decay of entanglement of quantum-dot electron-spin qubits under hyperfine-interaction-mediated decoherence.We show that two-qubit entanglement of a single entangled initial state may exhibit decay characteristic of two disentanglement regimes in a single sample, when the externalmagnetic field is changed. The transition is manifested by the suppression of time-dependent entanglement oscillations which are superimposed...
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Salinity enhances high optically active L-lactate production from co-fermentation of food waste and waste activated sludge: Unveiling the response of microbial community shift and functional profiling
PublikacjaLactic acid (LA), a versatile platform molecule, can be fermented from organic wastes, such as food waste and waste activated sludge. In this study, an efficient approach using salt, a component of food waste as an additive, was proposed to increase LA production. The LA productivity was increased at 10 g NaCl/L and optical pure L-lactate was obtained at 30 g NaCl/L. The enhancement of LA was in accordance with the increased solubilization...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublikacjaAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Mono- and polynuclear Co(II) silanethiolates with aliphatic diamines
PublikacjaFour Co(II) complexes, [Co{SSi(OtBu)3}2(dmpda)] 1, [Co{SSi(OtBu)3}2(bda)2]n2 [Co{SSi(OtBu)3}2(pda)2]n3 and [Co{SSi(OtBu)3}2(hda)2]n4 [dmpda = 3-(dimethylamino)-1-propylamine; bda = 1.4-butanediamine; pda = 1.5-pentanediamine; had = 1.6-hexanediamine] have been synthesized and characterized using X-ray diffraction. Complex 1 is mononuclear and contains Co(II) coordinated by dmpda molecule in chelating mode, whereas compounds 3 and...
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SURFACTANTS IN KLODNICA RIVER (KATOWICE, POLAND). PART I. LINEAR ALKYLBENZENE SULPHONATES (LAS)
PublikacjaSurfactants are a group of compounds with specific physico-chemical properties and therefore they are used in many spheres of human activity. Surface-active substances undergo various physico-chemical transformations, what enables their migration between different elements of the environment and may lead to its pollution. Selected anionic surfactants were determined in samples of water from the Klodnica river (25 samples) and bottom...
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Improvement of opipramol base solubility by complexation with β-cyclodextrin
PublikacjaOpipramol (OPI), a tricyclic antidepressant and anxiolytic compound, is administered orally in the form of a dihydrochloride. Salt form of the drug has a higher solubility in water and hence bioavailability and stability. A similar effect can be achieved by closing the hydrophobic part of the drug molecule in the cyclodextrin cavity. The paper presents opipramol inclusion complexes with beta-cyclodextrin (β-CD) in 1:1 molar ratio....
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Molecular Imaging and Nanotechnology—Emerging Tools in Diagnostics and Therapy
PublikacjaPersonalized medicine is emerging as a new goal in the diagnosis and treatment of diseases. This approach aims to establish differences between patients suffering from the same disease, which allows to choose the most effective treatment. Molecular imaging (MI) enables advanced insight into molecule interactions and disease pathology, improving the process of diagnosis and therapy and, for that reason, plays a crucial role in personalized...
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Mechanism of Osmolyte Stabilization–Destabilization of Proteins: Experimental Evidence
PublikacjaIn this work, we investigated the influence of stabilizing (N,N,N-trimethylglycine) and destabilizing (urea) osmolytes on the hydration spheres of biomacromolecules in folded forms (trpzip-1 peptide and hen egg white lysozyme─hewl) and unfolded protein models (glycine─GLY and N-methylglycine─NMG) by means of infrared spectroscopy. GLY and NMG were clearly limited as minimal models for unfolded proteins and should be treated with...
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Robot Eye Perspective in Perceiving Facial Expressions in Interaction with Children with Autism
PublikacjaThe paper concerns automatic facial expression analysis applied in a study of natural “in the wild” interaction between children with autism and a social robot. The paper reports a study that analyzed the recordings captured via a camera located in the eye of a robot. Children with autism exhibit a diverse level of deficits, including ones in social interaction and emotional expression. The aim of the study was to explore the possibility...
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublikacjaFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Polarisation effects in low-energy positron–molecule scattering
PublikacjaThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublikacjaThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublikacjaThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
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EMG and gaze based interaction with graphic interface of smart glasses application
PublikacjaIn this paper we investigate the effectiveness of the interaction using eye tracking and electromyography. Smart glasses requires reliable interfaces for controlling the graphic content displayed directly in front of the user's eye. Presented research is related with the eGlasses project, which is focused on the development of an open platform in the form of multisensory electronic glasses and related interaction methods. One of...
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Text Categorization Improvement via User Interaction
PublikacjaIn this paper, we propose an approach to improvement of text categorization using interaction with the user. The quality of categorization has been defined in terms of a distribution of objects related to the classes and projected on the self-organizing maps. For the experiments, we use the articles and categories from the subset of Simple Wikipedia. We test three different approaches for text representation. As a baseline we use...
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Magnetic field effects in dye-sensitized and organic solar cells
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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FEM modelling of screw displacement pile interaction with subsoil
PublikacjaPredicting the-settlement characteristics of piles is an important element in the designing of pile foundations. The most reliable method in evaluating pile-soil interaction is the static load test, preferably performed with instrumentation for measuring shaft and pile base resistances. This, however, is a mostly post-implementation test. In the design phase, prediction methods are needed, in which numerical simulations play an...
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Drop-coating deposition surface-enhanced Raman spectroscopy on silver substrates for biofluid analysis
PublikacjaUtilization of surface-enhanced Raman spectroscopy as a measurement technique is of particular interest in biodetection due to its superb chemical specificity and high sensitivity. The use of SERS substrates further improve this method by massive enhancement of the molecule Raman spectrum, permitting very low levels of detection. Therefore it is important to seek for new ways to develop reliable substrates, which are quickly and...
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Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization
PublikacjaResults concerning the thermostability of hen egg white lysozyme in aqueous solutions with stabilizing osmolytes, trimethylamine-N-oxide (TMAO), glycine (Gly), and its N-methyl derivatives, N-methylglycine (NMG), N,N-dimethylglycine (DMG), and N,N,N-trimethylglycine (betaine, TMG), have been presented. The combination of spectroscopic (IR) and calorimetric (DSC) data allowed us to establish a link between osmolytes’ influence on...
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Synthesis of functionalized new conjugates of batracylin with tuftsin/ retro-tuftsin derivatives and their biological evaluation
PublikacjaNew batracylin conjugates with tuftsin/retro-tuftsin derivatives were designed and synthesized using T3P as a coupling agent. The conjugates possess an amide bond formed between the carboxyl group of heterocyclic molecule and the N-termini of the tuftsin/retro-tuftsin chain. The in vitro cytotoxic activity of the new analogues and their precursors was evaluated using a series of human and murine tumor cells. BAT conjugates containing...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Formation of acoustic field in rooms
PublikacjaPaper describes known form literature method of sound diffusity index assesment, which utilizes impulse response of the room. Process of froming diffused sound field using this method was investigated.Increase of sound diffusity index in time was noted in rooms differing in shape,volume and reverberation time. Exponential growth of sound diffusion index was noted which correlates with other acoustical rooms measures.
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Nonlinear Interaction of Modes in a Planar Flow of a Gas with Viscous and Thermal Attenuation
PublikacjaThe nonlinear interaction of wave and non-wave modes in a gas planar flow are considered. Attention is mainly paid to the case when one sound mode is dominant and excites the counter-propagating sound mode and the entropy mode. The modes are determined by links between perturbations of pressure, density, and fluid velocity. This definition follows from the linear conservation equations in the differential form and thermodynamic...
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Research of leakage magnetic field in deenergized transformer
PublikacjaThe article deals with the issue of the numerical analysis of the magnetic field occurring around the transformer after it has been powered down. The main goal of this analysis was to examine if it is possible to identify the residual fluxes in the transformer legs based on this fields’ measurements. It was also intended to determine the type and the location of magnetic sensors. Numerical analysis of the magnetic field was performed....
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Modelling and computer animation of geodetic field work
Publikacja3D modelling of objects is a way of obtaining information, while the visualization of geospatial data is becoming a production task in the scope of surveying. Visualization of geospatial data provides effective tools for analysis information about the land surface, land cover, its features, properties etc. Computer animations, both 2D images and 3D are becoming additional, expected and clear form for presentation results of geodetic...
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Performance of lubricated sliding contact in magnetic field
PublikacjaResults of experimental studies concerning theinfluence of permanent magnetic field on wear of lubricatedsliding contact operating at short stroke and highfrequency are presented. It was found that horizontalmagnetic is affecting performance of the contact. Thejagged delamination regions produced in the presence of amagnetic field can be regarded as easily undergoing oxidisationbecause oxygen is readily adsorbed there. Magneticfield...
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Symmetry-controlled negative differential resistance effect in a triangular molecule
Publikacja -
Zero-range potentials in multi-channel diatomic molecule scattering
PublikacjaZagadnienie o rozpraszaniu elektronów na molekułach rozwiązuje się w sposób jawny w modelu potencjałów o zerowym promieniu. Uwzględniając stany wzbudzone wprowadzamy potencjał macierzowy. Dla przykładu e+H_2 porównujemy wyniki obliczeń przekrojów czynnych z innymi (ab initio) oraz z doświadczeniem.
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Generalized Zero Range Potentials and Multichannel Electron Molecule Scattering.
PublikacjaZagadnienie o rozpraszaniu elektronów na molekułach rozwiązuje się w sposób jawny w modelu potencjałów o zerowym promieniu. Uwzględniając stany wzbudzone wprowadzamy potencjał macierzowy. Dla przykładu stanów wibracyjnych e+H_2 porównujemy wyniki obliczeń przekrojów czynnych z innymi (ab initio) oraz z doświadczeniem.
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The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence
PublikacjaWe address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...
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Hydrodynamic Pressure Field of a Ship on Shallow Water
PublikacjaResults of calculations of the hydrodynamic pressure field around the ship were obtained by application of the boundary element method. Hydrodynamic field was calculated for a Polish Navy’s tugboat and transport ship using a program called SHiPP and compared with measurements of the field taken on river near Swinoujscie for two identical tugs H-4 and H-10. Next, a series of HPF calculations was carried out on planes situated at...
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Genetic Programming for Interaction Efficient Supporting in Volunteer Computing Systems
PublikacjaVolunteer computing systems provide a middleware for interaction between project owners and great number volunteers. In this chapter, a genetic programming paradigm has been proposed to a multi-objective scheduler design for efficient using some resources of volunteer computers via the web. In a studied problem, genetic scheduler can optimize both a workload of a bottleneck computer and cost of system. Genetic programming has been...
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The influence of compensate coils on own ship magnetic field
PublikacjaA ferromagnetic object placed in the earth magnetic field causes a local disturbance in this field distribution. The field distribution disturbance is a function of many arguments like the dimensoins and shape of the object, its ferromagnetic properties ande its positon in relation to the earth magnetic field. in order to minimize the influence of this disturbance one places compensate coils on the ship. Some chosen results of...
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Disturbances of magnetic field in surrounding of mobile, metalic plate
PublikacjaThe uniform magnetic field of the Earth in the surrounding of a mobile, metalic object undergoes deformation by eddy currents. The influence of the moving conducting object on total magnetic field of the Earth depends on the object's shape, position and speed of the changes relative to the magnetic field's vector of the Earth as well as the electric conductivity and the relative magnetic permeability of the material. The disturbances...
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Novel luminescent calixarene-based lanthanide materials: From synthesis and characterization to the selective detection of Fe3+
PublikacjaCalix[n]arene-based coordination networks are an emerging class of materials with intriguing properties resulted from the presence of the cavity-like structure of the macrocycle and metallic nodes. In this work, four novel luminescent materials based on calix[4]arene-carboxylate and lanthanides (Eu3þ and Tb3þ) were prepared by two synthetic approaches, solvothermal (CDA-Eu-ST) and slow diffusion (CDA-Eu-RT, CDA-Tb-RT, CTA-Tb-complex)...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Solid Phase Synthesis and Biological Activity of Tuftsin Conjugates
PublikacjaNew tuftsin/retro-tuftsin conjugates were designed and synthesized using a classical fluorenylmethoxycarbonyl (Fmoc) solid phase procedure. All the peptide conjugates were divided into three series: 1,4-dihydroxyanthraquinone (type A), 1-nitroacridine (type B), and 4-carboxyacridone (type C) derivatives. In type A conjugates, the N-terminal group of the peptide chain is directly connected to the anthraquinone ring at C1 (Scheme...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Photoelectron spectroscopy of a series of acetate and propionate esters
PublikacjaThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Calculation methods of interaction of electromagnetic waves with objects of complex geometries
PublikacjaModeling of the electromagnetic interaction with different homogeneous or inhomo-geneous objects is a fundamental and important problem. It is relatively easy to solve Maxwellequations analytically when the scattering object is spherical or cylindrical, for example. How-ever, when it loses these properties all that is left for us is to useapproximation models, to ac-quire the solution we need. Modeling of complex, non-spherical,...