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Search results for: nonadiabatic coupling
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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The topography of as-quenched and heat treated 50(2Bi2O3-V2O5)-50SrB4O7 and 50Bi2VO5.5-50SrB4O7 glasses measured with confocal microscope
Open Research DataThe topography of as-quenched and heat treated 50(2Bi2O3-V2O5)-50SrB4O7 and 50Bi2VO5.5-50SrB4O7 glasses measured with confocal microscope.
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The topography of as-quenched and heat treated 50(2Bi2O3-V2O5)-50SrB4O7 and 50Bi2VO5.5-50SrB4O7 glasses measured with AFM
Open Research DataThe topography of as-quenched and heat treated 50(2Bi2O3-V2O5)-50SrB4O7 and 50Bi2VO5.5-50SrB4O7 glasses measured with AFM.
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The structure of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. measured with X-ray diffraction method
Open Research DataThe structure of strontium–borate glasses and glass-ceramics containing Bi2VO5.5 nanocrystallites was measured by XRD.
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Non-linear impedance of V2O5 nanorods obtained at 923K
Open Research DataThe DataSet contains the non-linear electrical properties of V2O5 nanorods which were measured by the impedance spectroscopy method. V2O5 nanorods were obtained by the sol-gel method. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The precursor powder was pressed into the disk-shaped pellets (12mm in diameter...
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Thermal properties of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. measured with DSC method
Open Research DataThermal properties of strontium–borate glasses and glass-ceramics containing nanocrystallites of Bi2VO5.5. was measured by DSC.
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Evaluating Pornography Problems Due to Moral Incongruence Model
PublicationIntroduction To date, multiple models of problematic pornography use have been proposed, but attempts to validate them have been scarce. Aim In our study, we aimed to evaluate the Pornography Problems due to Moral Incongruence model proposing that self-appraisals of pornography addiction stem from (i) general dysregulation, (ii) habits of use, and (iii) moral incongruence between internalized norms and behavior. We investigated...
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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EFFECT OF SURFACE STATE AND STRESS ON AN OXIDATION OF THE ZIRCALOY-2 ALLOY
PublicationZr alloys are widely used as materials for nuclear fuel pellets in the nuclear industry. In the case of the LOCA or RIA happen, a temperature may locally reach high values. Even if the high temperature maintains shortly, the zirconium oxides may become permeable, absorb hydrogen appearing in cooling water from decomposition reaction and crack because of formation and brittle failure of hydrides. Such model cannot so far take into...
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Mathematical Modeling of Ice Thrusting on the Shore of the Vistula Lagoon (Baltic Sea) and the Proposed Artificial Island
PublicationCoastal lagoons are inland and shallow water bodies, separated from the ocean by a barrier. In cold regions, ice phenomena in shallow water coastal lagoons occur every winter season. Ice is predominantly formed on the surface due to density stratification and surface cooling. The ice dynamics in such areas are dominantly affected by winds. Water dynamics also cause ice movement, but due to the large areal scale of lagoons, the...
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Post-Pyrolytic Carbon as a Phase Change Materials (PCMs) Carrier for Application in Building Materials
PublicationThis article covers new application for char as a carrier of phase-change materials (PCM) that could be used as an additive to building materials. Being composed of bio-char and PCM, the granulate successfully competes with more expensive commercial materials of this type, such as Micronal® PCM. As a PCM carrier, char that was obtained from the pyrolysis of chestnut fruit (Aesculus hippocastanum) with different absorbances of the...
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Thermo-Mechanical Simulation of Underwater Friction Stir Welding of Low Carbon Steel
PublicationThis article investigates the flow of materials and weld formation during underwater friction stir welding (UFSW) of low carbon steel. A thermo-mechanical model is used to understand the relation between frictional heat phenomena during the welding and weld properties. To better understand the effects of the water environment, the simulation and experimental results were compared with the sample prepared by the traditional friction...
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A Concept for Safe and Less Expensive Acceleration of a Marine Steam Turbine Start-up
PublicationThis paper analyses the issue of accelerated start-up of a marine steam turbine, which is an important problem because the start-up of a steam machine involves the combustion of fuel that is not transformed into useful energy. To find novel technologies that offer improvements in this aspect is essential due to restrictions on reducing ship emissions. Thus, the shorter the start-up time, the better for the environment and economy....
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Compact High Efficiency and Zero-Emission Gas-Fired Power Plant with Oxy-Combustion and Carbon Capture
PublicationReduction of greenhouse gases emissions is a key challenge for the power generation industry, requiring the implementation of new designs and methods of electricity generation. This article presents a design solution for a novel thermodynamic cycle with two new devices—namely, a wet combustion chamber and a spray-ejector condenser. In the proposed cycle, high temperature occurs in the combustion chamber because of fuel combustion...
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Recent Advances in Loop Heat Pipes with Flat Evaporator
PublicationThe focus of this review is to present the current advances in Loop Heat Pipes (LHP) with flat evaporators, which address the current challenges to the wide implementation of the technology. A recent advance in LHP is the design of flat-shaped evaporators, which is better suited to the geometry of discretely mounted electronics components (microprocessors) and therefore negate the need for an additional transfer surface (saddle)...
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Co-gasification of waste biomass-low grade coal mix using downdraft gasifier coupled with dual-fuel engine system: Multi-objective optimization with hybrid approach using RSM and Grey Wolf Optimizer
PublicationThe looming global crisis over increasing greenhouse gases and rapid depletion of fossil fuels are the motivation factors for researchers to search for alternative fuels. There is a need for more sustainable and less polluting fuels for internal combustion engines. Biomass offers significant potential as a feed material for gasification to produce gaseous fuel. It is carbon neutral, versatile, and abundant on earth. The present...
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Green and Sustainable Membranes: A review
PublicationMembranes are ubiquitous tools for modern water treatment technology that critically eliminate hazardous materials such as organic, inorganic, heavy metals, and biomedical pollutants. Nowadays, nano-membranes are of particular interest for myriad applications such as water treatment, desalination, ion exchange, ion concentration control, and several kinds of biomedical applications. However, this state-of-the-art technology suffers...
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Technical and economic analysis of energy storage in the compressed air technology with low capacity for the production plant
PublicationCompressed air energy storage (CAES) system is a promising technology due to its numerous advantages, including relatively low maintenance cost, a long lifespan and high operational flexibility. This article explores the possibility of designing a CAES power plant as a source of electricity and heat for an existing industrial plant. The study involves the technical analysis of the power plant parameters and the economic analysis...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Nonlinear Control of a Doubly Fed Generator Supplied by a Current Source Inverter
PublicationNowadays, wind turbines based on a doubly fed induction generator (DFIG) are a commonly used solution in the wind industry. The standard converter topology used in these systems is the voltage source inverter (VSI). The use of reverse-blocking insulated gate bipolar transistor (RB-IGBT) in the current source inverter topology (CSI), which is an alternative topology, opens new possibilities of control methods. This paper presents...
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Nonlinear control of five phase induction motor with synchronized third harmonic flux injection
PublicationThe paper deals with the novel control system for five phase induction motor (IM) that enables the injection of the rotor flux 3rd harmonic component. Two multiscalar models are transformed from the 1-1 and 2-2 vector models developed in the 1st and 3rd harmonic planes. Based on the obtained multiscalar models the synthesis of dual multiscalar control is established. The obtained two multiscalar control systems can independently...
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublicationThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
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The mediational role of future and past time perspectives in the relationship between negative affectivity and sense of coherence
PublicationSense of coherence (SoC) can promote positive coping, and one of its most prominent negative correlates is negative affectivity (NA). In the current study, we hypothesized that future and past time perspectives (TPs) will mediate the relationship between sense of coherence and negative affectivity, and the inverse relationship. The study was questionnaire-based, performed online. N = 719 participants aged 25-45 from...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Garnizon district in Gdansk, Poland
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / BedZED, London
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Seestadt Aspern, Vienna, Austria
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma (formerly Spacemaker) / Battersea Power Station Development, London
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / ZAC de Bonne, Grenoble, France
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Brunnshög district in Lund, Sweden
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to analysis housing estates already existed in various cities in Europe. The analyses ware done in real time with AI and powered for key factors such as sun hours, daylight potential, noise, wind, and microclimate. These data...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Västra Hamnen, Malmö, Sweden.
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Hammarby-Sjöstad, Stockholm, Sweden.
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Pilestredet Park, Oslo, Norway.
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / King’s Cross, London, UK.
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Oceanhamnen, Helsingborg, Sweden
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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Case Study NEB Atlas / part II - Autodesk Forma analysis / La Courrouze district in Rennes, France
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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The structure of Bi2VO5.5 ceramic prepared by 3 different ways measured with X-ray diffraction
Open Research DataThe structure of Bi2VO5.5 ceramics was measured by XRD.
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Thermal properties of ceramic Bi2VO5.5 and strontium–borate glass-ceramics containing crystalites of Bi2VO5.5. measured with DSC
Open Research DataThermal properties of ceramic Bi2VO5.5 and strontium–borate glass-ceramics containing Bi2VO5.5 crystallites was measured by DSC.
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Caring for Children with Dravet Syndrome: Exploring the Daily Challenges of Family Caregivers
PublicationWhile Polish studies focus on the symptoms, causes and treatment of people suffering from Dravet syndrome (DS), much less is known about the situation of the family caregivers of DS children. This study was designed to explore the experiences, daily challenges and needs related to caring for DS children. An anonymous self-administered online questionnaire was developed. Thesurvey was completed by 75 family caregivers affiliated...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Numerical simulation of cold flow and combustion in a swirl stabilized combustor
PublicationA numerical simulation model was developed to investigate the cold flow and combustion using Ansys FLUENT 2021R1. The governing equations were solved using the pressure-based method, and pressure–velocity coupling was performed using the SIMPLE method. To model the turbulent process, the RSM model was used. Non-premixed model is chosen to solve the chemical kinetics between fuel and oxigen. Radiation heat transfer was calculated...
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Jan Wajs dr hab. inż.
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