Search results for: Functional analysis
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The Realization of NGN Architecture for ASON/GMPLS Network
PublicationFor the last decades huge efforts of telecommunication,Internet and media organizations have been focusingon creating standards and implementing one common networkdelivering multimedia services - Next Generation Network.One of the technologies which are very likely to beused in NGN transport layer is ASON/GMPLS optical network.The implementation of ASON/GMPLS technology usingopen source software and its results are the subject...
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublicationPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Public spaces connecting cities. Green and Blue Infrastructures potential.
PublicationA city fragmentation causes a lot of negative effects in urban environment such as: disconnecting the environmental, functional and compositional relations, a loss of urban compactness, chaotic development, visual chaos, a domination of technical landscape, reduction of security. This is why one of main challenges for urban planners is to connect the fragmented structures by creating friendly, attractive and safe public space....
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Spatial Evolution of the European Container Ports’ System in Perspective of the Location Theory
PublicationThe maritime container terminal is nowadays a spatially incoherent object. From the functional point of view it ends, where their most external components are located. The process of location splitting of container terminals is a new phase of their discrete growth. The external container facilities are being built to improve effectivness of the logistic chain in the hinterland. The new components of container terminals have very...
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Polyurethanes
PublicationThe chapter content is devoted to Polyurethanes and consists of the following items: general characteristics of polyurethanes, raw materials used in the synthesis of crosslinked polyurethanes, synthesis and crosslinking reactions of polyurethanes, morphology of liniear and branched PU, manufacturing methods and functional properties.
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Tailoring Defects in B, N-Codoped Carbon Nanowalls for Direct Electrochemical Oxidation of Glyphosate and its Metabolites
PublicationTailoring the defects in graphene and its related carbon allotropes has great potential to exploit their enhanced electrochemical properties for energy applications, environmental remediation, and sensing. Vertical graphene, also known as carbon nanowalls (CNWs), exhibits a large surface area, enhanced charge transfer capability, and high defect density, making it suitable for a wide range of emerging applications. However, precise...
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Determination of Hydroxy Groups in the Modified Epoxy Oligomers Using IR-Spectroscopy
PublicationThe use of IR-spectroscopy has been proposed to determine the content of hydroxy groups in the modified functional oligomers based on bisphenol A diglycidyl ether. Apart from hydroxy groups the investigated oligomers contain epoxy or peroxy, carboxy or acrylic groups.
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Reasons for Implementing Movement in Kinetic Architecture
PublicationThe paper gives insights into different forms of movement in contemporary architecture and examines them based on the reasons for their implementation. The main objective of the paper is to determine: the degree to which the complexity of kinematic architecture results from functional and spatial needs and what other motivations there are. The method adopted to investigate these questions involves theoretical studies and comparative analyses...
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Cognitive neuroscience: Theta network oscillations coordinate development of episodic memory
PublicationOur ability to remember life events matures through childhood and adolescence. A new study has revealed how theta oscillations between two anatomical brain regions supporting memory and executive functions are synchronized and develop across age through functional and structural connectivity.
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Can Historic Interiors with Large Cubature be Turned Acoustically Correct?
PublicationHistoric interiors with large cubature, such as reception, theatrical, and concert halls, need to be renovated periodically if they are to be preserved as cultural heritage for future generations. In such cases it is necessary to maintain appropriate balance between requirements imposed by heritage conservation authorities office which are usually being given a higher priority, applicable safety regulations, and the comfort of...
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Safety Integrity Verification Issues of the Control Systems for Industrial Process Plants
PublicationThe aim of this article is to identify and discuss some issues that can be encountered in designing the industrial automation and control systems (IACS) for implementing safety functions. In a functional safety standard IEC 61511 for the process industry such systems are named the basic process control systems (BPCS) and the safety instrumented systems (SIS). In a generic functional safety standard IEC 61508 they are depicted as...
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Arbutin: Isolation, X-ray structure and computional studies
PublicationArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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Visual Traffic Noise Monitoring in Urban Areas
PublicationThe paper presents an advanced system for railway and road traffic noise monitoring in metropolitan areas. This system is a functional part of a more complex solution designed for environmental monitoring in cities utilizing analyses of sound, vision and air pollution, based on a ubiquitous computing approach. The system consists of many autonomous, universal measuring units and a multimedia server, which gathers, processes and...
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Mariusz Figurski prof. dr hab. inż.
PeopleMariusz Józef Figurski (born 27 April 1964 in Łasinie, Poland) - Polish geodesist, professor of technical sciences, professor at the Gdańsk University of Technology. Early life and education He passed the matriculation examination in 1983 after he had finished Jan III Sobieski High school in Grudziądz. He graduated the Military University of Technology on an individual mode at the Faculty of Electromechanics and Civil Engineering...
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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
PublicationThe 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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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Mobile Activity Plan Applications for Behavioral Therapy of Autistic Children
PublicationThis paper concerns technological support for behavioral therapy of autistic children. A family of tools dedicated for mobile devices is presented, that allows to design and perform an activity schedule in behavioral therapy. The paper describes the main challenges, that were encountered, especially in meeting the non-functional requirements of the application: simplicity, repeatability, robustness, personalization, re-usability...
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Determination of Changes in Viscosity of Hydrogel Depending on Shear Rates
PublicationThe datasets entitled Determination of changes in viscosity of hydrogel depending on shear rate contain the results of viscosity measurements using a Brookfield viscometer, with different kinds of spindles and shear rates. The data allowed the used hydrogel preparations to be characterised and their functional parameters, as substances modifying the rheology of thickeners and determining the effect of shear rate on the viscosity...
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Simulation of Residence Time Distribution and Mixing in Reactors with Recirculation Using 2D Approach
PublicationIn this paper, we propose a 2D approach in order to create a mathematical model for the determination of the residence time distribution for a flow reactor with recirculation. Apart from characterizing the functional residence time distribution, this model can help improve the operation of the reactor at the design stage. The mathematical model was validated by comparison with experiments carried out in a hydraulic laboratory.
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Contemporary multifunctional buildings towards a sustainable development of the housing environment
PublicationDevelopment of contemporary urban centers depends on the basis that buildings present more and more complex structures in terms of size and purpose. They are referred to as multifunctional buildings. This aspiration has its origins in the development of urban centers and in the desire to optimize the built-up areas. The article presents the theory of the approach to the design of multifunctional buildings with a focus on the residential...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Problem of Clogging in Drainage Systems in the Examples of the Zur and Podgaje Dams
PublicationDrainage plays an extremely important role in hydraulic structures, such as earth dams. Observations of drainage in hydraulic structures under various soil conditions indicate that the phenomenon of clogging can lead to a radical reduction in the efficiency of drainage, making it non-functional within a few years after construction. This article describes the problems of drainage clogging by iron oxide in the examples of the Zur...
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Simple design criteria and efficiency of hydrodynamic vortex separators
PublicationVortex separators are locally applied for waste water treatment in different systems - from storm waste water sewerage to water treatment in fish ponds. However, the methods for separator design presented in the literature are questionable. The paper presents two simple and functional criteria that were employed to construct a laboratory test stand. The test results gave positive feed back on the efficiency of vortex separators.
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Eye-tracking everywhere - software supporting disabled people in interaction with computers
PublicationIn this paper we present comprehensive system for communication with computer by gaze. One of the main assumptions behind this work was to provide solution that can be used with standard RGB webcam. The proposed comprehensive system included the eye tracking module and user interface for convenient gaze interaction with computer. As a result a fully functional application was developed. The average accuracy of the eye tracking...
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Application of nonmetallic frustrated cations in the activation of small molecules
PublicationThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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Structural studies of a cold-adapted dimeric Beta-D-galactosidase from Paracoccus sp. 32d
PublicationThe crystal structure of a novel dimeric [beta]-D-galactosidase from Paracoccus sp. 32d (Par[beta]DG) was solved in space group P212121 at a resolution of 2.4 Å by molecular replacement with multiple models using the BALBES software. This enzyme belongs to glycoside hydrolase family 2 (GH2), similar to the tetrameric and hexameric [beta]-D-galactosidases from Escherichia coli and Arthrobacter sp. C2-2, respectively. It is the second...
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Implementing Integrated Territorial Investments
PublicationThe chapter presents the first experiences related to the implementation of the Integrated Territorial Investment (ITI). In the case of the Pomeranian region in Poland, this process was associated with the creation of a broad partnership and bottom-up approach to the development strategy programming for Urban Functional Areas. In this paper, we try to assess the effectiveness of this process, by defining its strong points and bottlenecks,...
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Evaluation of IEEE 802.21 Handover between IEEE 802.11 and UMTS Networks
PublicationThe paper presents IEEE 802.21 - the ongoing standard for network handovers - illustrating its functional features, and considering and simulating a set of scenarios of mobile stations moving between IEEE 802.11 and UMTS networks. In order to evaluate the performance of IEEE 802.21 hanover packet loses and switching delays caused by hanover procedures are investigated. The authors discuss example results of simulation experiments...
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Analytical and reliability data from the real-time simulator biogas plant
Open Research DataThe dataset represents the results of biogas plant simulation. The described plant is an agricultural biogas system, which can produce electrical energy with power estimated up to 1070 kW and heat energy that can reach 1200 kW simultaneously.
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublicationOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Working in harmony with nature. Green office buildings in a present-day city
PublicationMetropolis - as main point of people's migration, mostly because of work, have to face sustainable development as a strategy for the near future. This article describes possible ways leading to the best office building concepts in the design process. Searching for a workspace in harmony with nature is one of the aspects of a balanced development. The challenge is to create functional, compact, environmentally friendly and healthy...
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DFT studies of the refractive index of boron-doped diamond
PublicationThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublicationThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
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Applying of Doped Graphene Oxide Coatings for Corrosion Prevention
PublicationINTRODUCTION Graphene is a carbonaceous material characterized by extraordinary properties (high electron mobility, high surface area, high mechanical strength of 1100 GPa, very dense network hindering the passage of even the smallest helium atoms) [1]. Therefore, it found many applications, also as an anti-corrosive layer [2]. Electrophoretic Deposition (EPD) is one of the methods to deposit coatings. However, due to slight solubility...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Partial inhibition of borohydride hydrolysis using porous activated carbon as an effective method to improve the electrocatalytic activity of the DBFC anode
PublicationCarbon materials are commonly used catalyst supports in various types of fuel cells. Due to the possibility of designing their properties, they seem to be attractive and functional additives. In Direct Borohydride Fuel Cells (DBFCs), the electrooxidation reaction of borohydride competes with the undesirable hydrolysis reaction, therefore our work aimed to modify anodes based on a multi-component hydrogen storage alloy with a small...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 3, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 3, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 4, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 4, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 5, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 5, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 2, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 2, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 6, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 6, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 1, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 1, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 3, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 3, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublicationThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Studies on the building typology, Kartuzy case study, March 2020
Open Research DataThe data presents results of work within the studies on the building typology, Kartuzy case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population density, building...