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total: 491
Search results for: HARTREE-FOCK EXCHANGE
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Parameters and statistics of models made for selected companies of the Warsaw Stock Exchange
Open Research DataFor the WIG, WIG20 and mWIG40 indices, no day, week or month statistically differs from the average level of the index, which indicates no anomalies. The situation is different only for the index of small companies. In the case of sWIG80, the mean values on Friday, week 5 and 6, and during January, February and June were statistically different at the...
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Rapid ion-exchange matrix removal for a decrease of detection limits in the analysis of salt-rich reservoir waters for fluorobenzoic acids by liquid chromatography coupled with tandem mass spectrometry
PublicationA matrix removal procedure with ion-exchange resin prior to analysis for 18 fluorinated benzoic acids (FBAs) tracers in saline (>25% salt) reservoir water was optimized. The elimination of >98% of salt and the simultaneous matrix sample cleanup allowed the direct analysis using the supernatant by liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS). This resulted in a gain in detection limits for most of the tracers...
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Dawid Ryś dr hab. inż.
PeopleCourses PRINCE2® Foundation Certificate in Project Management Tire-Pavement Interaction course Micromechanical Analysis of Asphalt Concrete
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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Chemical diffusion and surface exchange in selected Ln–Ba–Sr–Co–Fe perovskite-type oxides
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Citropin 1.1 Trifluoroacetate to Chloride Counter-Ion Exchange in HCl-Saturated Organic Solutions: An Alternative Approach
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Markowitz’s portfolio theory – optimal length of estimation window for gold and the biggests companies on the Warsaw Stock Exchange
PublicationThe following article is dedicated to the construction of an investment portfolio consisting of 3 investments from the Polish capital market found in the WIG20 index and from investment in gold. The purpose of the study was to determine the optimal length of the estimation window for building a portfolio with minimal risk and maximum efficiency. The length of the estimation window was also assessed in terms of the rate of return...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Rafał Leszczyna dr hab. inż.
PeopleDr hab. Rafal Leszczyna is an associate professor at Gdansk University of Technology, Faculty of Management and Economics. He holds the M.Sc. degrees of Computer Science and Business Management. In December, 2006 he earned a Ph.D. in Computer Science, specialisation - Computer Security at the Faculty of Electronics, Telecommunications and Informatics of Gdansk University of Technology. Between 2004 and 2008 he worked in the European...
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Magnetic, Structural and Spectroscopic Properties of Iron(II)-Octacyanoniobate(IV) Crystalline Film Obtained by Ion-Exchange Synthesis
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Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins
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Phosphate exchange across the sediment-water interface under oxic and hypoxic/anoxic conditions in the southern Baltic Sea
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Structural, thermal and energetic characteristics of synthetic active carbons prepared on the basis of ion-exchange resin Amberlite IRC 84
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The impact of air humidity on the operation of proton exchange membrane fuel cells determined using dynamic electrochemical impedance spectroscopy
PublicationThis paper describes the changes in the fuel cell impedance across a range of current loads and humidity changes. The changes of each equivalent circuit parameters representing specific processes occurring in fuel cells, as a function of humidity and current changes, were determined. Within the combined scope of current and humidity, the optimal working conditions of the cells were determined, corresponding to the lowest impedance...
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ICT technologies and financial innovations: The case of exchange traded funds in Brazil, Japan, Mexico, South Korea and the United States
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Justyna Martyniuk-Pęczek dr hab. inż. arch.
PeopleJustyna Martyniuk-Peczek, Ph.D., D.Sc. Associate Professor Department of Urban Design and Regional Planning, Faculty of Architecture Gdansk University of Technology My academic and research activity has been concentrated around one specialty — urban planning, however it involves an interdisciplinary reference to other fields, such as lighting and the science of management. In terms of quantity, my academic work...
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Noncryogenic Synthesis of Functionalized 2-Methoxypyridines by Halogen-Magnesium Exchange Using Lithium Dibutyl(isopropyl)magnesate(1-) and Lithium Chloride
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
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Comparative Study on Effects of Thermal Gradient Direction on Heat Exchange between a Pure Fluid and a Nanofluid: Employing Finite Volume Method
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Financial impact analysis of going public at the Warsaw Stock Exchange: Using Fuzzy Set Theory to understand behaviours of mature companies
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Magdalena Popowska dr
PeopleMagdalena Popowska (PhD) is a researcher and lecturer of Organization Science and Entrepreneurship at the Faculty of Management and Economics of Gdansk University of Technology. For many years she has been in charge of exchange programmes, double degrees and other internationalization activities. In 2008-2016 she was a Vice-Dean for International and Public Affairs and now she is a Dean Proxy for International Cooperation. Her...
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SOLVENT EXTRACTION AND ION EXCHANGE
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Knowledge and Data Engineering Exchange Workshop
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Marcin Perzanowski dr inż.
PeopleHello, I work in the Department of Magnatic Materials and Nanostructures in the Institute of Nuclear Physics Polish Academy of Sciences in Kraków, Poland. My current research is focused on: (1) exchange bias in multilayers and nanostructures, (2) supermagnetic effects in low-dimensional materials, (3) perpendicular magnetic anisotropy in thin films and nanostructures. Collaborations, comments, and suggestions are welcomed! If...
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Origin of the ornamented bâton percé from the Gołębiewo site 47 as a trigger of discussion on long-distance exchange among Early Mesolithic communities of Central Poland and Northern Europe
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Vipin Kumar Oad mgr. inż.
PeopleVipin Kumar Oad has a Master of Science Degree in Integrated Water Resources Management (IWRM) and a Bachelor of Engineering Degree in Agriculture. During his MS studies, he achieved an opportunity to visit the United States of America and study one semester at The University of Utah, USA. Currently, he's pursuing his Ph.D. in Civil Engineering and Transport at the Gdansk University of Technology, Gdansk, Poland. His research interests...
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Sławomir Jerzy Ambroziak dr hab. inż.
PeopleSławomir J. Ambroziak was born in Poland, in 1982. He received the M.Sc., Ph.D. and D.Sc. degrees in radio communication from Gdańsk University of Technology (Gdańsk Tech), Poland, in 2008, 2013, and 2020 respectively. Since 2008 he is with the Department of Radiocommunication Systems and Networks of the Gdańsk Tech: 2008-2013 as Research Assistant, 2013-2020 as Assistant Professor, and since 2020 as Associate Professor. He is...
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Magnetic Phase Transition and Exchange Bias in $$\hbox {Ni}_{45}\hbox {Co}_{5}\hbox {Mn}_{35.5}\hbox {In}_{14.5}$$ Ni 45 Co 5 Mn 35.5 In 14.5 Heusler Alloy
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Mariusz Jaczewski dr inż.
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WIG rate of return histogram and normal distribution curve
Open Research DataThe conducted market analysis covered the period of stock exchange quotations from the beginning of 2010 to the end of 2019 (04/01/2010 - 30/12/2019). Daily data was used, in the form of closing prices of indices operating on the Warsaw Stock Exchange. In order to obtain a complete and generalized picture of the market, the quotations of 4 indices were...
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Krystian Zawadzki dr hab. inż.
PeopleKrystian Zawadzki is associate professor in the Department of Finance at the Faculty of Management and Economics of the Gdańsk University of Technology; member of the Polish Olympic Academy at the Polish Olympic Committee; coordinator of the Stock Exchange School (Warsaw Stock Exchange) in Gdańsk; Head of postgraduate studies "Capital Investments and Personal Finance Management"; member of the audit committee of the sports club...
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Proton affinities of simple organic compounds
PublicationThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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Tax on dividend income and income from investments in equity instruments in selected European Union countries
Open Research DataThe following data contains the information about the capital gains tax in selected EU countries. Capital gain is understood as an increase in the value of capital, e.g. as a result of an increase in the prices of securities held on the stock exchange, units of funds, exchange rate differences or other assets. This profit may be specified in nominal...
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Share price and capitalization of selected banks in 2007-2012
Open Research DataThe crisis also caused the value as measured by the stock market indices of the 5 largest banks in the US to decline by as much as 18 times. The table below shows the stock exchange valuation of the 5 largest banks, taking into account the period 2007-2012. When analyzing the activities of banks through the prism of the value of their stock exchange...
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IRR (Irianian Rial) in comparison to the USD (IRR/USD)
Open Research DataCurrent problem of the Iranian economy is unstable exchange rate of Iranian currency Rial (IRR) to the US dollar (USD). Exchange rate was maintained at about 10-12 thousand IRR for 1 USD. However, the impact of sanctions depreciated Rial dramatically. In July 2013, the price of IRR has been reduced from 12 200 to 24 980 IRR/USD. At the same time, the...
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Aqueous Biphasic Systems Using Chiral Ionic Liquids for the Enantioseparation of Mandelic Acid Enantiomers
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Poland – Iran trade turnover annually in 2009-2014 (millions of USD)
Open Research DataIn 2014, Polish exports to Iran was worth of 34.9 million EUR and imports 22.4 million (the trade turnover exceeded 57 million EUR). Year 2015 did not bring recovery in economic relations - the value of trade exchange exceeded only EUR 60 million. In comparison to 2011 when the total value of bilateral trade reached EUR 167 million.
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Individual corporate reputation, perception of collective corporate reputation, stock market investments
Open Research DataThere are two ways of conceiving of corporate reputation: individual and collective. Although related, they are not driven by the same factors. Thus, each of them may have a distinct impact on investment decisions. The following dataset includes the data obtained in an incentivized economic experiment based on vignette studies. We induced the perception...
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The concept of intergenerational cooperation network - the transfer of knowledge and skills
PublicationThe aim of this article is to present the idea of networking with regard to the exchange of knowledge between generations.
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Valorisation of bioplastics synthesised by liquefaction of celluloseusing hetero- and homogeneous catalysts
Open Research DataThe purpose of the present study was to test the effectiveness of a heterogeneous catalyst such as Nafion ion-exchange resin on the cellulose liquefaction process. The results obtained were compared with the bio-polyols obtained in a conventional way, using a homogeneous catalyst (sulfuric acid (VI)). Depending on the catalyst used and the temperature...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Interaction with medical data using QR-codes
PublicationBar-codes and QR-codes (Quick Response ) are often used in healthcare. In this paper an application of QR-codes to exchange of laboratory results is presented. The secure data exchange is proposed between a laboratory and a patient and between a patient and Electronic Health Records. Advanced Encryption Standard was used to provide security of data encapsulated within a QR-code. The experimental setup, named labSeq is described....
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Simulation research on the tool cycle in automated manufacturing system at selected tool duplication levels
PublicationThe paper presents results of the research concerning impact of applied tool exchange rule on the efficiency of an automated manufacturing system. The research consider the tool duplication levels that constrain realisation of a manufacturing process. Presented study was based on the real industrial system data. The operating of the investigated system of manufacture, including tools necessary for its realisation, was modelled...
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Dariusz Mikielewicz prof. dr hab. inż.
PeopleProfessor Dariusz Mikielewicz – born on February 6, 1967. in Gdansk. Here in 1974 he enrolled first to the Elementary School No. 17, and then in the Grammar School No. 5, named after Stefan Żeromski in Gdansk-Oliwa. After graduating from the Secondary School, with honors, in 1985 he successfully passed the entrance exams to the Faculty of Mechanical Engineering of Technical University of Gdansk, where he graduated with a very good...
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KONCEPCJA WSPÓŁPRACY SYSTEMU STRUMIENIOWEJ TRANSMISJI DANYCH CZASU RZECZYWISTEGO STRADAR Z EUROPEJSKIM SYSTEMEM EUROSUR
PublicationPrzedstawiono koncepcję współpracy systemów STRADAR i EUROSUR, w celu wymiany informacji związanych z ochroną granic UE. Opisano cechy zrealizowanego demonstratora STRADAR i zasady komunikacji oraz bezpieczeństwa wymiany informacji w systemie EUROSUR. Opisano warianty wymiany infor-macji pomiędzy systemami STRADAR i EUROSUR, od najprostszych, możliwych do zastosowania w obecnej wersji STRADAR, do zautomatyzowanych, wymagających...
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Ewa Klugmann-Radziemska prof. dr hab.
PeopleEwa Klugmann-Radziemska graduated from the University of Gdansk with a degree in physics, and since 1996 has been associated with the Gdansk University of Technology, when she began PhD studies. Currently, he is a professor at the Faculty of Chemistry at the Gdansk University of Technology, since 2006 head of the Department of Chemical Apparatus and Machinery. In the years 2008–2016 she was the Vice-Dean for cooperation and development,...
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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,...