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Search results for: HARTREE-FOCK EXCHANGE
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Rendezvous of Heterogeneous Mobile Agents in Edge-Weighted Networks
PublicationWe introduce a variant of the deterministic rendezvous problem for a pair of heterogeneous agents operating in an undirected graph, which differ in the time they require to traverse particular edges of the graph. Each agent knows the complete topology of the graph and the initial positions of both agents. The agent also knows its own traversal times for all of the edges of the graph, but is unaware of the corresponding traversal...
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Macroeconomic functions of the Russian stock market
PublicationThe purpose of this article is to present the structure of the stock market in the Russian Federation and the significance of this part of national financial system for the whole economy, particularly the degree of main macroeconomic functions fulfillment. First part of the text includes an overview of the main theoretical concepts linked with the stock market roles as well as a brief description of results of selected studies...
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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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QUEUE I
EventsFaculty of Applied Physics and Mathematics of Gdańsk Tech invites international students to the next summer school - Quantum and Molecules I (QUEUE I), organized within the ScienceApp project.
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Towards a multi-basin SWAT model for the migration of nutrients and pesticides to Puck Bay (Southern Baltic Sea)
PublicationBackground This paper analyzes the impact of changes in fertilization on crop yields and the runoff of nutrients from a small agricultural catchment (176 km2) to a shallow bay, using the SWAT model. Puck Bay is part of the Gulf of Gdansk and belongs to the Baltic Sea. The whole area of Puck Bay (364 km2) is protected (Natura 2000) yet despite this it suffers from eutrophication problems due to the relatively minimal depth and...
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Carbon nanoarchitectures as high-performance electrodes for the electrochemical oxidation of landfill leachate
PublicationNanomaterials and assemblies of the aforementioned into complex architectures constitute an opportunity to design efficient and selective solutions to wide spread and emerging environmental issues. The limited disposal of organic matter in modern landfills generates extremely concentrated leachates characterised by high concentrations of refractory compounds. Conventional biochemical treatment methods are unsuitable, while advanced...
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Structure of the US investment company industry over the period 2000 to 2017: substitution analysis
PublicationOver the last years the investment company industry has undergone deep transformation in the majority of the most advanced economies, including the United States. Traditional investment companies, such as mutual funds, have lost their market share to innovative exchange-traded funds (ETFs). The main distinctive features of ETFs are listing and trading in their units on the stock exchanges as well as lower costs for investors. The...
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Cathodically activated Au/TiO2 nanocomposite synthesized by a new facile solvothermal method: An efficient electrocatalyst with Pt-like activity for hydrogen generation
PublicationWe report here a facile, template-free and one-step solvothermal approach for the synthesis of high-temperature stable gold/titania nanocomposite (NCs), providing a new, simple, quick and inexpensive wet-chemical route. Our approach is based on the assembly of gold salt and titanium butoxide in dimethyl sulfoxide (DMSO). Also, we present here, for the first time, a cathodically activated Au/TiO2 catalyst with Pt/C activity for...
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News that Moves the Market: DSEX-News Dataset for Forecasting DSE Using BERT
PublicationStock market is a complex and dynamic industry that has always presented challenges for stakeholders and investors due to its unpredictable nature. This unpredictability motivates the need for more accurate prediction models. Traditional prediction models have limitations in handling the dynamic nature of the stock market. Additionally, previous methods have used less relevant data, leading to suboptimal performance. This study...
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Selected aspects of two-phase flow studies using different visualization techniques in minichannels
PublicationThe subject of the study is to present the possibility of the use of visualization techniques in the researches on two-phase flows, carried out by the authors for many years. These works included as follows: heat transfer during the flow boiling, boiling crises and condensation in flow. The issue of the heat transfer intensification during the flow boiling through the channels of small diameters was analyzed. All this work focused...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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On the internal efficiency of a turbine stage: classical and CFD definitions
PublicationAlmost entire fleet of steam turbines in Poland was designed between 1950 – 1980 with the use of the so-called zero dimensional (0D) calculation tools. For several years, design and modernization of the turbines occur in assistance with the state of the art methods that describe working fluid flow field based on 3D models and CFD codes. This cooperation between 0D and 3D codes requires exchange of overall, integral information...
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Corporate Governance and Ownership Structure in the Top 30 Listed Non Financial Companies in Poland
PublicationThis paper offers a first analysis of the relationships between corporate governance models and rules and ownership structure of the top 30 Polish firms listed at the WSE (not considering foreign firms and/or the Polish branches of foreign firms listed at the same stock exchange, nor the financial companies and the banks). The general picture depicted by this analysis is putting into evidence the increasing importance of institutional...
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Spatial variability of throughfall in a stand of Scots pine (Pinus sylvestris L.) with deciduous admixture as influenced by canopy cover and stem distance
PublicationVegetation cover affects the amount of precipitation, its chemical composition and its spatial distribution, and this may have implications for the distribution of water, nutrients and contaminants in the subsurface soil layer. The aim of this study was a detailed diagnosis of the spatio-temporal variability in the amount of throughfall (TF) and its chemical components in a 72-year-old pine stand with an admixture of oak and birch....
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Chemical denudation and the role of sulfide oxidation at Werenskioldbreen, Svalbard
PublicationThis study aims to determine the rate of chemical denudation and the relationships between dominant geochemical reactions operating in the proglacial and subglacial environments of the polythermal glacier Werenskioldbreen (SW Svalbard) during an entire ablation season. Water sampling for major ion chemistry was performed at a proglacial hydrometric station and from subglacial outflows from May to September 2011. These data were...
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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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PROBLEMS OF THE STARTING AND OPERATING OF HYDRAULIC COMPONENTS AND SYSTEMS IN LOW AMBIENT TEMPERATURE (PART IV) MODELLING THE HEATING PROCESS AND DETERMINING THE SERVICEABILITY OF HYDRAULIC COMPONENTS DURING THE STARTING-UP IN LOW AMBIENT TEMPERATURE
PublicationDesigners of hydraulically driven machines and devices are obliged to ensure during design process their high service life with taking into account their operational conditions. Some of the machines may be started in low ambient temperature and even in thermal shock conditions (due to delivering hot working medium to cold components). In order to put such devices into operation appropriate investigations, including experimental...
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Lead In drinking water: Adsorption method and role of zeolitic imidazolate frameworks for its remediation: A review
PublicationDue to various characteristics properties lead(II) metal is utilized in many applications like lead ion batteries, water pipes, ammunition and paints. For this reason, concentration of lead(II) ions in water is increasing days by days which is alarming for water pollution. Water pollution is a major problem worldwide which affects biosphere badly, and causes continuous reduction of accessible sources of fresh water and ground water, available...
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Quality Analysis of Audio-Video Transmission in an OFDM-Based Communication System
PublicationApplication of a reliable audio-video communication system, brings many advantages. With the spoken word we can exchange ideas, provide descriptive information, as well as aid to another person. With the availability of visual information one can monitor the surrounding, working environment, etc. As the amount of available bandwidth continues to shrink, researchers focus on novel types of transmission. Currently, orthogonal frequency...
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Beyond quid pro quo: good soldiers and characteristics of their helping behaviours
PublicationPurpose – Good soldiers are people who engage in citizenship behaviours “to do good” instead of “to look good”. The purpose of this article is to explore the motivations behind and the specific characteristics of behaviours of the good soldiers in the context of work using social exchange theory (SET) as a theoretical framework. Design/methodology/approach – 47 dyadic interviews with 94 individuals from three organisations...
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Maria Jastrzębska dr hab.
PeopleMaria Jastrzębska is an employee of the Department of Finance. She is the author of over 170 publications, including 8 monographs - Financial Management of Municipalities. Theoretical aspects; Budgetary policy of local government units; Debt management of local government units; Finances of local government units; Risk management in the activity of local government units with special consideration of catastrophic risk (co-author...
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Otwarte innowacje w inicjatywach klastrowych
PublicationSpecyfika funkcjonowania inicjatyw klastrowych czyni z nich idealne podłoże do wcielania w życie idei open innovation – ułatwiają bowiem nawiązywanie kontaktów z innymi podmiotami, stawiają na otwartość swoich członków i budowę relacji opartych na zaufaniu, stanowią platformę wymiany zasobów (w tym przede wszystkim informacji i wiedzy) oraz wspólnego kreowania rozwiązań innowacyjnych. W artykule podjęto rozważania teoretyczne dotyczące...
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Long-term hindcast simulation of sea level in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of sea level fluctuations over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model...
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Wieloobszarowa rozmyta regulacja PID mocy reaktora jądrowego
PublicationW artykule przedstawiono wieloobszarowy regulator rozmyty z lokalnymi regulatorami PID dla sterowania mocą reaktora jądrowego typu PWR. Wykorzystano model matematyczny o parametrach skupionych reaktora PWR obejmujący procesy generacji i wymiany ciepła oraz efektów reaktywnościowych. Nastawy lokalnych regulatorów PID zostały dobrane w sposób optymalny, minimalizując całkowy wskaźnik jakości ISE. Na przykładzie pokazano że zastosowane...
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Shape-dependent enhanced photocatalytic effect under visible light of Ag3PO4 particles
PublicationSilver phosphate (Ag3PO4) could be considered as visible light induced photocatalyst for pollutants degradation, due to its narrow band gap (∼2.4 eV). However, Ag3PO4 photoactivity depends on surface properties and synthesis route. In this study, differently shaped Ag3PO4 photocatalysts have been synthesized through the precipitation, ion exchange, soft-chemical or hydrothermal method. To correlate surface properties with photoactivity all...
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The Emergence of ETFs in Asia-Pacific
PublicationThe major objective of this book is to contribute to the present state of knowledge by exploring empirical links between the processes of diffusion of financial innovations— exchange-traded funds—and growing deployment of ICT across Asia-Pacific countries, between 2004 and 2017. We examine the evolutionary patterns of ETFs on selected Asia-Pacific stock exchanges and verify the hypothesized relationship between increasing ICT penetration...
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Locust bean gum as green and water-soluble binder for LiFePO4 and Li4Ti5O12 electrodes
PublicationLocust Bean Gum (LBG, carob bean gum) was investigated as an environmentally friendly, natural, and water-soluble binder for cathode (LFP) and anode (LTO) in lithium-ion batteries (Li-ion). For the frst time, we show LBG as an electrode binder and compare to those of the most popular aqueous (CMC) and conventional (PVDF) binders. The electrodes were characterized using TGA/DSC, the galvanostatic charge–discharge cycle test, cyclic...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Non-Satellite Broadband Maritime Communications for e-Navigation Services
PublicationThe development of broadband network access technologies available to users on land has triggered a rapid expansion of a diverse range of services provided by terrestrial networks. However, due to limitations of digital communication technologies in the off-shore area, the maritime ICT systems evolution so far has not followed that trend. Despite the e-navigation initiative defining the set of Maritime Services, the progress in...
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Web-based real-time simulation system
PublicationThe paper presents the development of a simulation system composed of a real-time plant simulator with real-time controller included in the software-in-the-loop structure using web-based communication. The client-server architecture build in a TCP/IP network environment was introduced, where the server is a computing unit for real-time high temporal resolution plant simulation (and optionally also as controllers' platform) and...
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Nanoparticles and nanofiltration for wastewater treatment: From polluted to fresh water
PublicationWater pollution poses significant threats to both ecosystems and human health. Mitigating this issue requires effective treatment of domestic wastewater to convert waste into bio-fertilizers and gas. Neglecting liquid waste treatment carries severe consequences for health and the environment. This review focuses on intelligent technologies for water and wastewater treatment, targeting waterborne diseases. It covers pollution prevention...
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Financial markets diffusion patterns. The case of Mexican investment funds
PublicationExchange traded funds (ETFs) are one of the most influential financial innovations, reshaping the investment funds market in many countries, including Mexico. Due to their similar investment objectives, ETFs are considered substitutes for mutual funds. The aim of the article is to provide an in-depth insight into the issues associated with the development of financial markets in Mexico...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Europe, between Mandatory and Voluntary Approach to CSR: Some New Evidence from the Polish Listed Companies
PublicationThis paper aims to explore the relationship between corporate governance rules and application of CSR practices into operations of the top 30 companies listed on the Warsaw Stock Exchange. Since in Poland, so far, there is no obligation to follow any specific CSR standards or to make disclosures of non-financial, social and environmental information, this is still a fully voluntary approach. At the moment, only some of the companies...
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A system of visualization of operational situation on digital maps for mobile units of the Border Guards
PublicationBorder guards have to be equipped with technology enabling a communication, an acquisition, an exchange, and a visualization of data in different operational situations. This also applies to the staff, which is located on mobile units such as ground vehicles, aircrafts and vessels. Within the project realized for the Polish Border Guard and financed by The National Centre for Research and Development, a system was designed and...
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Recycling of Industrial Waste as Soil Binding Additives—Effects on Soil Mechanical and Hydraulic Properties during Its Stabilisation before Road Construction
PublicationTo improve the in situ soil stabilization, different chemical additives are used (ion exchange compounds, additives based on H2SO4 or vinyl polymers, and organic additives using lignosul- fonates). One interesting alternative is the production of additives from various waste materials. The extensive testing of waste-based blends with soil was performed; the mechanical (unconfined compressive strength (UCS)) and hydraulic (capillary...
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Leading with Understanding: Cultivating Positive Relationships between Neurotypical Leaders and Neurodivergent Employees
PublicationNeurodivergent employees have atypical needs that require distinctive leadership approaches. In this study, the specific nature of a relationship between neurodivergent employees and their neurotypical leaders is explored through the lens of the Leader-Member-Exchange (LMX) theory. This two-phased qualitative study builds on 12 semi-structured interviews with neurodivergent employees and an unstructured focus group with 15 individuals...
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Hydrochars as a bio-based adsorbent for heavy metals removal: A review of production processes, adsorption mechanisms, kinetic models, regeneration and reusability of hydrochar
PublicationThe spread of heavy metals throughout the ecosystem has extremely endangered human health, animals, plants, and natural resources. Hydrochar has emerged as a promising adsorbent for removing heavy metals from water and wastewater. Hydrochar, obtained from hydrothermal carbonization of biomass, owns unique physical and chemical properties that are highly potent in capturing heavy metals via surface complexation, electrostatic interactions,...
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Integrating Art into Places in Transition - Rose Kennedy Greenway in Boston as a Case Study
PublicationAmong the many projects realized in public spaces, some are truly unique – and these are the ones that build the identity of a place. The aim of this paper is to examine how integrating art and cultural strategies into public space can enhance and reinforce the sense of a place. Particular attention is devoted to urban spaces that we call “places in transition”, where public art improves the city’s imaginative capacity, enlivens...
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Merton-type default risk and financial performance: the dynamic panel moderation of firm size
PublicationPurpose – The main purpose of this study is to evaluate the probability of default and examine the relationship between default risk and financial performance, with dynamic panel moderation of firm size. Design/methodology/approach – This study utilizes a total of 1,500 firm-year observations from 2013 to 2018 using dynamic panel data approach of generalized method of moments to test the relationship between default risk and financial...
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Application of Nanomaterials for Cadmium Adsorption for Sustainable Treatment of Wastewater: a Review
PublicationMany heavy metals, particularly cadmium, are detrimental to both people and the environment when present in large quantities. In wastewater treatment plants, several conventional approaches are employed for cadmium abatement to restore the ecosystem, food supplies, and health of people and animals. Ion exchange, coagulation, membrane filtration, and chemical precipitation are a few examples of ways for removing heavy metals from...
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Insight into Potassium Vanadates as Visible-Light-Driven Photocatalysts: Synthesis of V(IV)-Rich Nano/Microstructures for the Photodegradation of Methylene Blue
PublicationPhotocatalysis is regarded as a promising tool for wastewater remediation. In recent years, many studies have focused on investigating novel photocatalysts driven by visible light. In this study, K2V6O16·nH2O nanobelts and KV3O8 microplatelets were synthesized and investigated as photocatalysts. Samples were obtained via the facile method based on liquid-phase exfoliation with ion exchange. By changing the synthesis temperature...
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Mathematical modelling of gasification process of sewage sludge in reactor of negative CO2 emission power plant
PublicationSewage sludge is a residue of wastewater processing that is biologically active and consists of water,organic matter, including dead and alive pathogens, as well as organic and inorganic contaminants suchas polycyclic aromatic hydrocarbons (PAHs) and heavy metals. Due to the nature of sewage sludge and itspossible influence on human health and wellbeing, it is a subject of various regulations. Currently,sewage sludge is considered...
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In vivo imaging of the human eye using a two-photon excited fluorescence scanning laser ophthalmoscope
PublicationBACKGROUND. Noninvasive assessment of metabolic processes that sustain regeneration of human retinal visual pigments (visual cycle) is essential to improve ophthalmic diagnostics and to accelerate development of new treatments to counter retinal diseases. Fluorescent vitamin A derivatives, which are the chemical intermediates of these processes, are highly sensitive to UV light; thus, safe analyses of these processes in humans...
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Automatic Identification System (AIS) Dynamic Data Integrity Monitoring and Trajectory Tracking Based on the Simultaneous Localization and Mapping (SLAM) Process Model
PublicationTo enhance the safety of marine navigation, one needs to consider the involvement of the automatic identification system (AIS), an existing system designed for ship-to-ship and shipto- shore communication. Previous research on the quality of AIS parameters revealed problems that the system experiences with sensor data exchange. In coastal areas, littoral AIS does not meet the expectations of operational continuity and system availability,...
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Consequences of russia’s military invasion of Ukraine for Polish-Ukrainian trade relations
PublicationAn accurate forecast of interstate trade volume allows for short-term and long-term planning, particularly deciding on state budget revenues, foreign exchange earnings, border arrangement, other infrastructure, migration and social policies. Hostilities are destructive so the russian military aggression against Ukraine in 2022 needs to be assessed in terms of its effects on key economic aspects of Polish-Ukrainian relations, as...
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Long-term hindcast simulation of water temperature and salinity in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of water temperature and salinity over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic...
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Long-term hindcast simulation of currents in the Baltic Sea
Open Research DataThe dataset contains the results of numerical modelling of currents over a period of 50 years (1958-2007) in the Baltic Sea . A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model was coupled...
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Gossiping by energy-constrained mobile agents in tree networks
PublicationEvery node of an edge-weighted tree network contains a data packet. At some nodes are placed mobile agents, each one possessing an amount of energy (not necessarily the same for all agents). While walking along the network, the agents spend the energy proportionally to the distance traveled and collect copies of the data packets present at the visited network nodes. An agent visiting a node deposits there copies of all currently...
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Analysis of the Water Level Variation in the Polish Part of the Vistula Lagoon (Baltic Sea) and Estimation of Water Inflow and Outflow Transport through the Strait of Baltiysk in the Years 2008–2017
PublicationThe Vistula Lagoon is located in both Poland and Russia along the southern coast of the Baltic Sea. It is connected to the Baltic Sea in the Russian part by the Strait of Baltiysk. The purpose of the paper is to identify the dominant factors underlying the water level variation mechanism at Tolkmicko in the Vistula Lagoon, revealed by a statistical analysis of the measured data and a discussion on the inflow and outflow transport...