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Search results for: HARTREE-FOCK EXCHANGE
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Price convergence in the EU-an aggregate and disaggregate approach
PublicationThis article examines the price dispersion in the European Union (EU) over 15 years (1990-2005). An extensive overview of the literature offers inconclusive results with the half-lives of price shocks from 2.8 to 282 months. Until now, most of the empirical research has been either micro or macro based. In contrast, we conducted a complex analysis utilizing both aggregate and disaggregate price data. The macro approach is based...
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Preparation and characterisation of solution-cast Nafion membrane
PublicationNafion is a commercial name for a perfluorosulfonic polymer, which has been developed in 1962 by Dupont de Nemours. This polymer consists of a polytetrafluoroethylene backbone and regular spaced long perfluorovinyl ether pendant side chains terminated by a sulfonate ionic group. These sulfonate groups are responsible for cation-exchange properties of Nafion. Thanks to the ion-exchange properties, water permeability, good chemical,...
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Whirling system of water exchangein breeding pools
PublicationTo secure the proper conditions of life for sea mammals existing in closed systems one has to maintain the character of the breeding basins (i.e. shape, dimensions, facing of walls and bottom, quality and motion of water) as natural as possible. An appropriate system of water exchange plays a very important role here. A full renewal of water is time-consuming, expensive and troublesome, so can be made only periodically, and should...
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Electrical conductivity relaxation measurements - water uptake of BaCe0.6Zr0.2Y0.1Tb0.1O3-δ
Open Research DataFor Electrical Conductivity Relaxation (ECR) measurements, platinum reversible electrodes were applied in a four-probe arrangement and the BaCe0.6Zr0.2Y0.1Tb0.1O3-δ sample was measured in the ProboStat™ measurement system. The ECR measurements were performed in air in the temperature range of 450-800 ℃ after switching water partial pressure between...
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Comparison of Transmission Capacities of Two Regulation Systems: Lateral and in-phase Control Transformers
PublicationThis paper presents a comparison of regulation capabilities of lateral and in-phase control transformers in a selected node of a power system. Their regulation capabilities are presented, as well as cross-system exchange options.
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The Influence of Cooperation on the Operation of an MPC Controller Pair in a Nuclear Power Plant Turbine Generator Set
PublicationThe paper discusses the problem of cooperation between multiple model predictive control (MPC) systems. This approach aims at improving the control quality in electrical energy generation and forms the next step in a series of publications by the authors focusing on the optimization and control of electric power systems. Cooperation and cooperative object concepts in relation to a multi MPC system are defined and a cooperative control...
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Visualization of the surface of the Nafion membrane
Open Research DataFuel cells use the chemical energy of hydrogen or other fuels to produce electricity. If the fuel is hydrogen, the only products are electricity, water and heat. Fuel cells are unique in the variety of their potential applications, they can use a wide variety of fuels. They are also highly scalable devices that can power both cars and mobile phones....
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Water currents in Głębinka Passage in late spring of 1975
Open Research DataData set contains the results of the field measurements of horizontal water currents carried out in the Głębinka Passage in Puck Bay (Southern Baltic, Poland) in 1975 by Department of Physical Oceanography (Institute Oceanography, University of Gdańsk). Głębinka Passage is a narrow strait playing crucial role in water exchange between shallow and deep...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Partition of friction heat between sliding semispaces due to adhesion-deformational heat generation
PublicationAnalytical expressions of heat-partition coefficient and contact temperatures for two sliding semispaces with account for adhesion-deformational heat generation and contact heat exchange have been obtained. The rate of deformational heat generation is assumed to decay exponentially with increase of distance from the interface. It has been shown that heat-generation configuration and the intensity of contact heat exchange have impact...
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Exploring Stock Traders’ Cognitive Biases: Research Design and Simulator Framework
PublicationCognitive bias is a phenomenon that has been extensively studied in stock trading and many other fields. This paper presents a framework for a Mobile Stock Trading Simulator (MSTS) that facilitates automatic investment in stocks with minimal human influence, by investigating the behavioral patterns and cognitive errors of stock market investors. The paper aims to determine whether investors’ investment strategies can be improved...
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Fundamentals of thermodynamics and heat transfer, W/C, GTM (WCh), sem.04, zimowy 23/24 (PG_00048767)
e-Learning CoursesTable of contents presented on the course: Basic terms.The first law of thermodynamics for closed and open systems.The properties of perfect, semi-perfect and real gases.Gas rights. Thermal and caloric state equation.Thermodynamic transformations of a perfect gas.Gaseous thermodynamic cycles. The second law of thermodynamics.Steam and steam cycles.Basics of heat exchange.
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Wiktor Sieklicki dr inż.
PeopleMechanical Engineer degree in Automatics and Robotics achieved in 2006 from Mechanical Faculty of Gdansk University of Technology, Mechanics and Strength of the Materials Department (thesis topic: "Micro electro-mechanical devices for laparoscopy"). Thesis written during the exchange program with Genova University, Italy. PhD in Mechatronics finished in 2010 from Mechanical Faculty of Gdansk University of Technology, Mechanics...
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Thermal treatment of montmorillonite modified with Cd[SC(NH2)2]42+ from two polymorphic salts
PublicationMontmorillonite(MMT)/CdS nanocomposites can be obtained using simple ionic exchange between Na(I)-MMT and Cd[SC(NH2)2]42+∙2NO3. The resulting products may be annealed to give (MMT)/CdS nanocomposites as it was proved by XRD analysis.
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Dagmara Nikulin dr
PeopleBio: Dagmara Nikulin Dagmara Nikulin has been employed at the Faculty of Management and Economics as a research and teaching assistant professor since 2014. Initially, she worked at the Department of Economic Sciences, and now at the Department of Statistics and Econometrics. She is a graduate of the Faculty of Economics at the Poznań University of Economics (2009) and the Faculty of Social Sciences of the Adam Mickiewicz University...
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The Prospects of Retail Payment Developments in the Metaverse
PublicationIn the age of technological development, rapid technological progress, and the metaverse development in which humans interact with each other and with the environment using virtual real-world metaphors, payment systems may also need to be re-considered. The study aims to find an answer to the question of what should be retail payments in the metaverse and to begin interdisciplinary discussions about...
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Electrical conductivity relaxation measurements - oxidation and reduction of BaCe0.6Zr0.2Y0.1Tb0.1O3-δ
Open Research DataThe dataset consists of 2 main catalogs: measurements performed for oxidation/reduction in dry conditions and in humid conditions. For Electrical Conductivity Relaxation (ECR) measurements, platinum reversible electrodes were applied in a four-probe arrangement and the sample was measured in the ProboStat™ measurement system. The ECR measurements were...
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Dissemination.
PublicationArtykuł opisuje doświadczenia związane z realizacją projektu Leonardo da Vinci EMDEL European Model for Distance Education (2001-2005), w szczególności z działaniami dotyczącymi etapu partnerskiej wymiany kursów (sub-project "Exchange of products") oraz rozpowszechniania wyników projektu ("Dissemination").
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Smart Email - Almost an Agent Platform
PublicationNetwork organizations suffer today of information overload and strain that rise their operational costs. One of the reasons of that is the dominance of email messaging as the princi-pal means of document exchange between their workers. Proac-tive documents can rationalize these costs and augment email systems with a process view based on collaboration patterns.
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Przegląd rodzajów chiralnych faz stacjonarnych oraz możliwości ich zastosowań w chromatografii cieczowej
PublicationChromatograficzne rozdzielanie związków optycznie czynnych ma ogromne znaczenie nie tylko w przemyśle farmaceutycznym, ale i agrochemicznym, a także w badaniach naukowych różnego rodzaju. W niniejszym opracowaniu scharakteryzowano komercyjnie dostępne chiralne fazy stacjonarne na bazie, cyklodekstryn, polisacharydów, makrocyklicznych antybiotyków, eterów koronowych, a także fazy proteinowe, ligandowymienne, jonowymienne oraz fazy...
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Early warning models against bankruptcy risk for Central European and Latin American enterprises
PublicationThis article is devoted to the issue of forecasting the bankruptcy risk of enterprises in Latin America and Central Europe. The author has used statistical and soft computing methods to program the prediction models. It compares the effectiveness of twelve different early warningmodels for forecasting the bankruptcy risk of companies. In the research conducted, the author used data on 185 companies listed on the Warsaw Stock Exchange...
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Katarzyna Kubiszewska dr
PeopleKatarzyna Kubiszewska has taught finance and banking at the Department of Finance since 2008. In his scientific work, he is interested in the transformation of banking systems in the Central and Eastern European region, but also in the financing of the cultural sector. The publications concern the field of social sciences in the discipline of economics and finance. Since 2019, he has been collaborating with journals such as Economic...
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The number of active enterprises in Poland in 1997-2014
Open Research DataAfter Poland joined the group of countries associated in the European Union and through participation in numerous economic and political organizations (including the World Trade Organization, OECD), as well as the commencement of trade exchange with virtually all countries of the world, Polish entrepreneurs and managers struggle with completely problems...
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Share of gross value added generated by enterprises in GDP
Open Research DataAfter Poland joined the group of countries associated in the European Union and through participation in numerous economic and political organizations (including the World Trade Organization, OECD), as well as the commencement of trade exchange with virtually all countries of the world, Polish entrepreneurs and managers struggle with completely problems...
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Income obtained according to particular rates only by taxpayers conducting non-agricultural business activity 2015
Open Research DataTaxation in the form of a lump sum on recorded revenues does not apply to certain types of activity, regardless of their size. We are talking about taxpayers who achieve revenue in whole or in part, among others from on account of running pharmacies, activities in the field of buying and selling foreign exchange values, activities in the field of trade...
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Structural change of carbon supported Pt nanocatalyst subjected to a step-like potential cycling in PEM FC
PublicationIn this paper we present detailed X-ray absorption fine structure (XAFS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) investigations of the changes in the local geometric and electronic structure of Pt nanoparticles used as a cathode catalyst in proton exchange membrane fuel cell (PEMFC), working under controlled potential cycling conditions.
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Modelowanie materiałów metodami kwantowymi 2023
e-Learning CoursesPrzypomnienie narzędzi obsługi systemu operacyjnego Linux niezbędnych do pracy z oprogramowaniem służącym modelowaniu materiałów i procesów związanych z materiałami oraz pracy z komputerem obliczeniowym. Wstępy teoretyczne z teorii metod kwantowych i podstawowych algorytmów: operatory, funkcje falowe, równanie własne, równanie Schrödingera i metody przybliżone: metody wariacyjne, metoda Hartree-Focka oraz przedstawienie zastosowań...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublicationIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Chapter 4. Electricity generation from glucose microbial fuel cell
PublicationThe microbial fuel cell was constructed to generate electricity with simultaneous digestion of a glucose fuel by a bacterial biofilm. The decomposition of glucose resulted in releasing of electrons to an anode and to production of some by-products, e.g. metane or organic acids. It was found that maximum electric power density strongly depended on the proton transport through the proton exchange membrane seperating the anolyte and...
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Introduction of SAF-T in selected European countries together with applicable national names
Open Research DataAmong the methods used by individual countries in norder to seal the tax collection the introduction of the Standard Audit File for Tax is one of the most important ones.
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Low-Power WSN System for Honey Bee Monitoring
PublicationThe paper presents a universal low-power system for biosensory data acquisition in scope of bees monitoring. We describe the architecture of the system, energy-saving components as well as we discuss the selection of used sensors. The work focuses on energy optimization in a scope of wireless communication. A custom protocol was implemented, which is the basis for presented energy-efficient devices. Data exchange process during...
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MORPHOLOGY OF BUILDING DEVELOPMENT AS AN ELEMENT OF URBAN VENTIALTION SYSTEM
PublicationProblems related to air quality in large urban agglomerations (e.g., high concentration of pollutants, the urban heat island phenomenon) make it necessary to take comprehensive measures to improve air exchange in urban areas.The article concerns the relationship between wind phenomena observable in cities and the geometrical features of building development. The knowledge on the subject is already well-founded and has been intensively...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublicationWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublicationElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Porównanie możliwości przesyłowych dwóch układów regulacyjnych: transformatorów z regulacją poprzeczną oraz transformatorów z regulacją wzdłużną
PublicationW artykule przedstawiono porównanie możliwości regulacyjnych transformatorów z regulacją poprzeczną oraz wzdłużną w wybranym węźle systemu elektroenergetycznego. Zaprezentowano możliwości regulacyjne tych układów oraz możliwości kształtowania wymiany międzysystemowej.
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublicationWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Parallel immune system for graph coloring
PublicationThis paper presents a parallel artificial immune system designed forgraph coloring. The algorithm is based on the clonal selection principle. Each processor operates on its own pool of antibodies and amigration mechanism is used to allow processors to exchange information. Experimental results show that migration improves the performance of the algorithm. The experiments were performed using a high performance cluster on a set...
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Marcin Potrykus dr inż.
PeopleA graduate of the Faculty of Management and Economics at the Gdańsk University of Technology. Since 2008, he has been employed as an Assistant at the Department of Finance at the Faculty of Management and Economics of the Gdańsk University of Technology. In 2015, he defended (in the discipline of economics) his doctoral dissertation entitled "Alternative investments - profitability and risk". Since 2016, he has been employed as...
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A new construction of shell-and-tube heat exchanger with impinging jets and minichannels technologies for heat recovery from gases – experimental analysis
PublicationA dynamic development of technologies allowing waste heat utilization is observed in a correspondence with a pro-ecological approach of the zero waste idea. Such approach becomes the most demanding in the area of low-temperature was heat sources, especially gaseous media. Till now, they were usually not utilized due to unfavorable thermal conditions and high costs. Therefore, the zero waste approach directs research on techniques...
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MSRL and the Real-Life Processes of Capturing and Implementing the "Urban Innovation"
PublicationResult of the MSRL workshop, five research projects, reflect on a broader process of exchange of the ideas between the cities, that is occurring in the real life and became one of the driving factors of the urban development nowadays. The objective of the MSRL research - concepts, which help to advance the development of the cities, support the improvement of the quality of urban environment or meet the future challenges, can be...
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Low energy elastic scattering of electrons from hexafluoropropene (C3F6)
PublicationWe present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10°to 130°. The theoretical method used in the computation of the integral, momentum...
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Numerical Investigation of Nuclear Reactor Kinetic and Heat Transfer Fractional Model with Temperature Feedback
PublicationAbstract—In the paper, the numerical results concerning the kinetics and proposed heat exchange models in nuclear reactor based on fractional calculus are presented for typical inputs. Two fractional models are proposed and compared with the model based on ordinary derivative. The first fractional model is based on one of the generalized Cattaneo equations. The second one is based on replacing the ordinary to fractional order of...
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For Your Eyes Only – Biometric Protection of PDF Documents
PublicationThe paper introduces a concept of a digital document content encryption/decryption with facial biometric data coming from a legitimate user. Access to the document content is simple and straightforward, especially during collaborative work with mobile devices equipped with cameras. Various contexts of document exchange are presented with regard to the next generation pro-active digital documents proposed by authors. An important...
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Representing and Managing Experiential Knowledge with Decisional DNA and its Drimos® Extension
PublicationThe Semantic Web concept is proposing a future concept of the WorldWideWeb (WWW) where both humans and man-made systems are able to interconnect and exchange knowledge. One of the challenges of Semantic Web is smart and trusted accommodation of knowledge in artificial systems so it can be unified, enhanced, reused, shared, communicated and distributed with added aptitude. Our research represents an important component of addressing...
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The main developments of the CSR initiatives in Poland
PublicationThis short paper outlines the most important documents and initiatives that have appeared in the subject throughout the years within the international institutions, such as United Nations or European Union. It also discusses the ways in which the international CSR initiatives are being incorporated into Polish legislative and organizational system, by providing an outline of the biggest and most active organizations and foundations...
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A LABORATORY STAND FOR THE ANALYSIS OF DYNAMIC PROPERTIES OF THERMOCOUPLES
PublicationIn the present elaboration, problems connected with measurements of high variable temperatures of gases are introduced and the impact of dynamic properties of different construction solutions of thermoelements on the accuracy of the measurements is considered. A laboratory stand built within research under doctoral thesis, destined for analysis of dynamic properties of thermocouples is also described. Results of numerical simulation...
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Security Requirements and Controls for Incident Information Sharing in the Polish Power System
PublicationAmong the strategies of protecting information assets of the power system, sharing of information about current cybersecurity incidents between energy operators appears to be a prerequisite. Exchange of information leads to the effective detection of attacks and exploited vulnerabilities as well as the identification of countermeasures. This paper presents the results of continuation of our works on developing a secure and efficient...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Reshaping financial systems: The role of ICT in the diffusion of financial innovations – Recent evidence from European countries
PublicationExchange-traded funds (ETFs) are among the fastest-growing types of innovative financial products. The emergence and spread of these instruments have been facilitated by the digital revolution. Information and communication technology (ICT) is profoundly reshaping the global economic landscape, laying solid foundations for unrestricted and unbounded flows of information and knowledge, eliminating information asymmetries, and furthering...