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Search results for: HALOGEN INTERACTION
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GIS three-dimensional Modelling with geo-informatics techniques
PublicationThe integration issue of virtual models and geo-referenced database have a very broad spectrum of potential applications. Before the integration issue was on the cusp, it was quite problematic to combine three-dimensional models with the geo-referenced database. An integrated database contains a variety of data including such as object orientated data model and raster data. Within this paper, authors present an integration process...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublicationIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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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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Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications
PublicationOver the past few years, metal halide perovskite solar cells have made significant advances. Currently, the single-junction perovskite solar cells reach a conversion efficiency of 25.7%. Perovskite solar cells with a wide band gap can also be used as top absorber layers in multi-junction tandem solar cells. We examined the dynamical and thermal stability, electronic structure, and optical features of In2PtX 6 (X = Cl, Br, and I)...
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Technical State Assessment of Charge Exchange System of Self-Ignition Engine, Based On the Exhaust Gas Composition Testing
PublicationThis paper presents possible use of results of exhaust gas composition testing of self - ignition engine for technical state assessment of its charge exchange system under assumption that there is strong correlation between considered structure parameters and output signals in the form of concentration of toxic compounds (ZT) as well as unambiguous character of their changes. Concentration of the analyzed ZT may be hence considered...
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Enhanced interfacial and mechanical performance of styrene-butadiene rubber/silica composites compatibilized by soybean oil derived silanized plasticization
PublicationSilanized 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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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Pounding between Inelastic Three-Storey Buildings under Seismic Excitations
PublicationStructural interactions between adjacent, insufficiently separated buildings have been repeatedly observed during damaging ground motions. This phenomenon, known as the structural pounding, may result in substantial damage or even total collapse of structures. The aim of the present paper is to show the results of the nonlinear numerical analysis focused on pounding between inelastic three-storey buildings under seismic excitations....
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Możliwości integracji projektów sztuki nowych mediów w procesy odnowy przestrzeni miejskiej
PublicationZadaniem badawczym podjętym w rozprawie było wykazanie możliwość integracji projektów sztuki nowych mediów w procesy odnowy przestrzeni miejskiej. Wyodrębniono cztery etapy procesów odnowy miast: diagnozę, planowanie, realizację oraz ewaluację. Wskazano, że na etapie diagnozy sztuka nowych mediów może między innymi wspierać proces zbierania i wizualizacji danych, informować mieszkańców o stanie środowiska miejskiego. Na etapie...
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Emulsification alters simulated gastrointestinal proteolysis of β-casein and β-lactoglobulin
PublicationWe have studied the effect of the adsorption of milk proteins at the oil-water interface on their digestibility in simulated gastrointestinal environment. The investigations aimed to characterize how both the breakdown of the adsorbed proteins and the interactions with physiological surfactants, phosphatidylcholine (PC) and bile salts (BS), influence structural transformations of model, protein-stabilized food emulsions in the...
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The Third Sector in the Universities’ Third Mission
PublicationThe interactions between the today’s university and its environment, as part of the university’s social responsibility, have been subject to many scientific papers. Their authors typically focus on interdependencies between universities, the state and the market. What is lacking are publications related to the interactions between universities and third sector organisations, and more broadly – a civil society, that may play an...
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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublicationShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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SDGs implementation, their synergies, and trade-offs in EU countries – Sensitivity analysis-based approach
PublicationSustainable development is one of the most urgent challenges facing humanity. Its basic principle is to improve people’s well-being and maintain it over time. In 2015, the United Nations approved 17 sustainable development goals (SDGs) to ensure a better and sustainable future for all, balancing economic, social and environmental development. SDGs create an ‘indivisible whole’; thus, examining their interactions is crucial. Our...
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Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface
PublicationUsing computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed. We found that the ice and the protein interact at least as early as when the protein is about 1 nm away from the ice surface. These interactions are mediated by interfacial solvation water and are possible thanks to the structural ordering of the solvent. This ordering leads to positional preference of the protein...
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Modelling of Curvature of the Railway Track Geometrical Layout Using Particle Swarm Optimization
PublicationA method of railway track geometrical layout design, based on application of cubic C-Bezier curves for describing the layout curvature is presented in the article. The control points of a cubic C-Bezier curve are obtained in an optimization process carried out using Particle Swarm Optimization algorithm. The optimization criteria are based on the evaluation of the dynamic interactions and satisfaction of geometrical design requirements.
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Evaluation of position estimation based on accelerometer data
PublicationThe paper concerns the problem of integrating data from accelerometers. A suitable model of a MEMS accelerometer is presented which is a part of inertial measurement units (IMU). Such units allow to measure orientation as well as to localize systems. They also appear to be applicable for systems positioning. The main purpose of the paper is to discuss conditions that must be satisfied to calculate the location of the sensor by...
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Bridging challenges of clinical decision support systems with a semantic approach. A case study on breast cancer
PublicationThe integration of Clinical Decision Support Systems (CDSS) in nowadays clinical environments has not been fully achieved yet. Although numerous approaches and technologies have been proposed since 1960, there are still open gaps that need to be bridged. In this work we present advances from the established state of the art, overcoming some of the most notorious reported difficulties in: (i) automating CDSS, (ii) clinical workflow...
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From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
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Water clusters in liquid organic matrices of different polarity
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Analysis of higher recombination orders in organic bulk heterojunction solar cells
PublicationRecently, it has been experimentally demonstrated that an order of nongeminate recombination exceeds two in some types of organic bulk heterojunction donor-acceptor structures. This result is different than for the case of bimolecular recombination described by Langevin theory. Although several theoretical explanations of this effect have been presented, the origin of higher recombination orders is still questionable. In this work,...
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Face detection algorithms evaluation for the bank client verification
PublicationResults of investigation of face detection algorithms in the video sequences are presented in the paper. The recordings were made with a miniature industrial USB camera in real conditions met in three bank operating rooms. The aim of the experiments was to check the practical usability of the face detection method in the biometric bank client verification system. The main assumption was to provide as much as possible user interaction...
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ANALYSIS OF THE PUNCHING FAILURE MECHANISM IN WORKING PLATFORMS
PublicationPaper presents an analysis of the shear failure mechanism which occurs from the punching of a working platform layer in relation to its thickness, grain size arrangement and mechanical properties, taking into consideration the interaction with soft subgrade. The study is based on the observations of performance of natural scale structures (Streefkerk) and the results of model investigations numerically represented with the use...
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Retrieval with Semantic Sieve
PublicationThe article presents an algorithm we called Semantic Sieve applied for refining search results in text documents repository. The algorithm calculates socalled conceptual directions that enables interaction with the user and allows to narrow the set of results to the most relevant ones. We present the system where the algorithm has been implemented. The system also offers in the presentation layer clustering of the results into...
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Using Physiological Signals for Emotion Recognition
PublicationRecognizing user’s emotions is the promising area of research in a field of human-computer interaction. It is possible to recognize emotions using facial expression, audio signals, body poses, gestures etc. but physiological signals are very useful in this field because they are spontaneous and not controllable. In this paper a problem of using physiological signals for emotion recognition is presented. The kinds of physiological...
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Software for calculation of noise maps implemented on the supercomputer
PublicationThis paper presents investigation results relevant to the implementation of the algorithms for the calculation of noise maps. The aim of the implementation of the algorithms on the computer cluster is explained. Selected implementation details of the software called the noise propagation model are described. The interaction of the software with the data acquisition system is presented. Noise maps obtained by exploitation of the...
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Improving web user experience with caching user interface
PublicationIn human-computer interaction, response time is assumed generally not to exceed significantly 1-2 seconds. While the natural competition in the Internet public Web serving ensures adhering widely to such limits, some Web environments are less competitive and offer much worse user experience in terms of response time. This paper describes a solution to significantly improve user experience in terms of response time with only modification...
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Multiple jets impingement – numerical analysis by the ζ-f and hybrid VLES turbulence models
PublicationPresented paper summarizes the Authors findings referring to the numerical analyses of the jet impinging phenomena in the case of complex jets configurations in various applications e.g. in the heat exchangers. Multiple jets interference resulting in the cross-flow and the surface curvature are the factors which impose the need of advanced turbulence models utilization. The outcome of the research based on the ζ-f turbulence model...
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Modal analysis of a fish-belly flap type of steel water gate
PublicationABSTRACT: The results of a modal analysis of the fish-belly flap type of steel water gate are presented in the paper. The analysis was conducted for a detailed numerical model of the structure using four-node quadrilateral shell elements. The study was focused on the examination of the influence of positioning of the flap gate and hydrostatic pressure of water on the eigenvalues and eigenmodes of the structure. The results of the study...
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Corrosion mechanisms in columns for atmospheric distillation of crude oil
PublicationThe paper presents the most common corrosion processes occurring in the columns for atmospheric distillation of crude oil. It describes the mechanisms leading to formation of the chemical compounds, which contribute to corrosion phenomena. The main technological factors influencing corrosion processes have been indicated. The paper also presents the interactions between particular corrosion mechanisms resulting in acceleration...
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Fluctuation-Enhanced Sensing
PublicationFluctuation-enhanced sensing (FES) is an exciting and relatively new research field that promises to extend the range of information that can be extracted from a single sensor. In FES, the stochastic fluctuations of the sensor signal, rather than its average value, are recorded and analyzed. Typical components of such fluctuations are due to interactions at the microscopic level. Proper statistical analysis provides optimum sensory...
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Tacit knowledge acquisition & sharing, and its influence on innovations: A Polish/US cross-country study
PublicationThis study measures the relationship between tacit knowledge sharing and innovation in the Polish (n=350) and US (n=379) IT industries. Conceptually, the study identifies the potential sources of tacit knowledge development by individuals. That is, the study examines how “learning by doing” and “learning by interaction” lead to a willingness to share knowledge and, as a consequence, to support process and product/service innovation....
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Surface diffusion and cluster formation of gold on the silicon (111)
PublicationPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Laser Welding of UNS S33207 Hyper-Duplex Stainless Steel to 6061 Aluminum Alloy Using High Entropy Alloy as a Filler Material
PublicationThe high entropy alloy (HEA) filler used during the fabrication method determines the reliability of HEAs for steel-aluminum dissimilar alloy configuration. HEAs have a direct impact on the formation of intermetallic compounds (IMC) formed by the interaction of iron (Fe) and aluminum (Al), and influence the size of the joint’s interaction zone. A novel welding process for Fe-Al alloy joints was developed to prevent the development...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublicationThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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Micelle formation of Tween 20 nonionic surfactant in imidazolium ionic liquids
PublicationAggregation behavior of polyoxyethylene (POE)-type nonionic surfactant Tween 20 in imidazolium ionic liquids with varying chain length and different anions, such as tetrafluoroborate, hexafluorophosphate, bis(trifluoromethanesulfonyl)imide, and trifluoromethanesulfonate, was investigated by means of surface tension, conductivity and dynamic light scattering measurements. The role of the chain length, anion size as well as interactions...
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Identification of synergistic and antagonistic actions of environmental pollutants: Bisphenols A, S and F in the presence of DEP, DBP, BADGE and BADGE·2HCl in three component mixtures
PublicationEcosystems are facing increased pressure due to the emission of many classes of emerging contaminants. However, very little is known about the interactions of these pollutants, such as bisphenols (BPs), plasticizers or pharmaceuticals. By employing bioluminescent bacteria (Microtox assay), we were able to define interactions between selected emerging pollutants (namely BPA, BPS, BPF, BADGE, BADGE·2HCl, DEP, DBP) in ternary mixtures, at...
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Architektura przyszłości – przekraczanie granic poprzez interfejsy
PublicationArchitektura przyszłości rozpatrywana jest w kontekście rozwoju technologii cyfrowych, które umożliwiają nadawanie obiektom architektonicznym cech interfejsów. Przekraczanie granic dotyczy więc nadawania architekturze nowych funkcji - funkcjonalności zapożyczonych ze świata wirtualnego, emisji informacji oraz interakcji. W tym ujęciu „interfejs architektoniczny” stanowi płaszczyznę komunikacji pomiędzy obiektem architektonicznym...
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Prof. Haitham Abu-Rub - A Visit to Poland's Gdansk University of Technology
PublicationReport on visit of Prof. Haitham Abu-Rub in Gdansk University of Technology. Speech on the Smart Grid Centre. Visit in the new smart grid laboratory of the GUT, the Laboratory for Innovative Power Technologies and Integration of Renewable Energy Sources (LINTE^2).
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How does institutional and natural social support shape the beliefs about psychological help among policemen?
PublicationEffectiveness of social support mechanisms results from interacting subjective factors (beliefs about help from others) and context (social network available). Organized institutional support and perception of natural support reduce barriers in obtaining psychological help.
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Numerical estimation of the pile toe and shaft unit resistances during the installation process in sands
PublicationNumerical simulations of a pile jacking were carried out. A Coupled Eulerian–Lagrangian (CEL) formulation was used to treat with large deformation problems. An Abaqus, a commercial Finite Element Method software suit, was used as a computing environment. The Mohr–Coulomb constitutive model was applied and the Coulomb model of friction was used to describe pile-soil interaction. Calculations were made for three different pile diameters....
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Dynamics of quantum entanglement
PublicationA model of discrete dynamics of entanglement of a bipartite quantum state is considered. It involves a global unitary dynamics of the system and periodic actions of local bistochastic or decaying channel. For initially pure states the decay of entanglement is accompanied by an increase of von Neumann entropy of the system. We observe and discuss revivals of entanglement due to unitary interaction of subsystems. For some mixed states...
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Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublicationA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
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Information Retrieval with the Use of Music Clustering by Directions Algorithm
PublicationThis paper introduces the Music Clustering by Directions (MCBD) algorithm. The algorithm is designed to support users of query by humming systems in formulating queries. This kind of systems makes it possible to retrieve songs and tunes on the basis of a melody recorded by the user. The Music Clustering by Directions algorithm is a kind of an interactive query expansion method. On the basis of query, the algorithm provides suggestions...
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The CDIO model in architectural education and research by design
PublicationArchitectural education has always been related to experimentation: that is, defining concepts, drawing sketches, working on models, then testing and modifying them. This activity mirrors the CDIO learning methods and objectives. Despite this, research studies into the applicability of the CDIO model in architectural curricula are scarce. In the discipline of architecture, hands-on experiences are associated not only with one of...
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Experimental study on earthquake-induced pounding between steel structures
PublicationPounding between adjacent structures has been repeatedly observed during major earthquakes. The phenomenon may cause some local damage at the points of interactions, it may also lead to substantial destruction, permanent deformations or total collapse of colliding structures. The effects of earthquake-induced structural pounding have been studied for more than three decades now. However, most of the studies concerned masonry as...
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Social learning and knowledge flows in cluster initiatives, In: Sanz S.C., Blanco F.P., Urzelai B. (Eds). Human and Relational Resources (pp. 44-45). the 4th International Conference on Clusters and Industrial Districts CLUSTERING, University of Valencia, Spain, May 23–24 (ISBN: 978-84-09-11926-4).
PublicationPurpose – The purpose of the paper is to explore how learning manifests and knowledge flows in cluster initiatives (CIs) due to interactions undertaken by their members. The paper addresses the research question of how social learning occurs and knowledge flows in CIs. Design/methodology/approach – The qualitative study of four cluster initiatives helped to identify various symptoms of social learning and knowledge flows in...
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Heterogeneous Ensemble with Combined Dimensionality Reduction for Social Spam Detection
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ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublicationCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...
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Monument of History in Gdynia - Problems with Protection of the Main Representative Axis of the City
PublicationThe spatial idea of the main representative axis was presented in 1938 in the project of the Representative District of Gdynia and partly realised in 1938-1939. Although the whole area was included in the Gdynia's Monument of History, now its spatial integration is on thread by the controversial current development plans