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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Interactions of positrons with atoms and molecules
PublikacjaThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Medium to High and high road sections
Dane BadawczeData contain road sections with the highest number of accidents and victims on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019. Measures used to assess the level of risk is: minimum 4 accidents or 4 seriously injured or fatalities per one kilometer (5 classes: low, low to medium, medium, medium to high, high):
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Transmission electron microscope (TEM) and optical microscope images of pristine and silica-coated bismuth oxide and gadolinium oxide particles
Dane BadawczeCollection of raw transmission electron microscope (TEM) micrographs and optical microscope images used in the associated manuscript. All data in accessible *.tif format. Zip package contains:
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Angelica Pegani mgr
OsobyAbsolwentka Wydziału Zarządzania i Ekonomii Politechniki Gdańskiej. Ukończyła menedżerskie studia podyplomowe z zakresu zarządzania operacyjnego w przedsiębiorstwie, w tym formułowania strategii operacyjnej oraz efektywnego zarządzania procesami wytwórczymi i usługowymi na Politechnice Gdańskiej oraz Programu Przedsiębiorczości na Massachusetts Institute of Technology. Posiada liczne certyfikaty potwierdzające znajomość języka...
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Simultaneous analysis of non-steroidal anti-inflammatory drugs and estrogenic hormones in water and wastewater samples using gas chromatography–mass spectrometry and gas chromatography with electron capture detection
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublikacjaExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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SU‐E‐T‐472: Characterization of the Very High Energy Electrons, ISO ‐ 250 MeV (VHEE) Beam Generated by ALPHA‐X Laser Wakefield Accelerator Beam Line for Utilization in Monte Carlo Simulation for Biomedical Experiment Planning
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Dane BadawczeThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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STRENGTH of MATERIALS TOWARDS APPLICATIONS (2024)
Kursy OnlineThe SMTA DATE Course consists of the following problems to be discussed during the lectures: - Introduction to strength of materials towards applications - Fundamentals of modelling in strength of materials towards applications - Materials and basic structures - Fundamentals of modelling in strength of materials towards applications - Definition of environment and loads - General, energy-based and advanced methods for analysis...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices
PublikacjaThe selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...
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Polarisation effects in low-energy positron–molecule scattering
PublikacjaThe UK molecular R-matrix method has been adapted to treat positron collisions from polyatomic targets. A simple empirical enhancement factor which corrects for the underestimation of electron–positron polarisation and correlation effects in the calculations performed with the static-plus-polarization model at low scattering energies is presented. Application of this model to positron scattering from carbon dioxide at energies...
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Hybrid biobateryy based on arylated carbon nanotubes and laccase
PublikacjaSingle-walled carbon nanotubes (SWCNT) were covalently modified with antracene and antraquinone and used for the construction of cathodes for biocatalytic reduction od dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron tarnsfer (DET) between the enzyme and the electrode. the aryl groups enter the hydrophobic pocket of the T1...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublikacjaThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Exemplary SEM images of polished cross sections of symmetrical cell with SrTi0.50Fe0.50O3-d electrodes and CGO-20 substrate sintered at 800 °C
Dane BadawczeThis dataset contains images of polished cross section of symmetrical cell with SrTi0.50Fe0.50O3-d electrodes and CGO-20 substrate sintered at 800 °C. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 12 kV in a high vacuum mode.
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Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublikacjaWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
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The youth in polish legations and government
PublikacjaUntil the 2015 elections, youth policy in Poland was treated as a separate domain. There is no uniform legal basis concerned with the matters of young people. Youth rights are dealt with in several articles of the Constitution of the Republic of Poland as well as a number of Acts: on Public Administration Branches, on the Education System, on Higher Education, on Employment Promotion and Labour Market Institutions, on NFZ General...
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The influence of the substrate temperature on the preparation of DNA films for studies under vacuum conditions
PublikacjaExperiments were carried out to determine the dependence of the physical form of supercoiled DNA films on the initial temperature of the substrate. Such films are often used in irradiation experiments involving low energy particles, like electrons or photons. In order to obtain absolute values for cross sections for such experiments, the spatial distribution of the sample in the film has to be well estimated. These investigations...
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The Global Boundary Stratotype Section and Point (GSSP) for the base of the Coniacian Stage (Salzgitter-Salder, Germany) and its auxiliary sections (Słupia Nadbrzeżna, central Poland; Střeleč, Czech Republic; and El Rosario, NE Mexico)
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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation
PublikacjaHypoxia—a hallmark of solid tumors—makes hypoxic cells radioresistant. On the other hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons and hydrated electrons, one of the major products of water radiolysis under hypoxic conditions. A possible way to overcome these obstacles to the efficient radio- and photodynamic therapy of cancer is to sensitize the cellular DNA to electrons and/or ultraviolet...
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublikacjaDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublikacjaSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Determination of the optimal curvature of the turnout diverging track for HSR using dynamic analysis
PublikacjaThe paper presents an analytical method of identifying the curvature of the turnout diverging track consisting of sections of varying curvature. Such turnout is mainly applied on High Speed Railway. Both linear and nonlinear (polynomial) curvatures of the turnout diverging track are considered in the paper. Obtained solutions enable to assume curvature values at the beginning and end point of the geometrical layout of the turnout.The...
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Analysis of the Ways to Identify Rail Running Surface Defects by Means of Vibration Signals
PublikacjaTh e article discusses a preliminary concept of a method enabling the identifi cation of chosen rail running surface defects, such as squats, spalling, and running surface defects, by analysing the parameters of vibration signals. It features a description of the methodology of the conducted tests, the scope thereof, and the selection of the measurement points with specifi c defect types. Th e article covers selected results of...
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TEM (transmission electron microscopy) images and elemental mapping EDX (energy dispersive X-ray spectroscopy) of bulk boron and borophene obtained during ball milling
Dane BadawczeThese data contain TEM (transmission electron microscopy) images with corresponding elemental mapping EDX of bulk boron and borophene flakes after the ball-milling process (450 rpm, 6 h, 1 g). The data were collected to investigate the structure and morphology of the materials.
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
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Factors affecting low-temperature cracking of asphalt pavements: analysis of field observations using the ordered logistic model
PublikacjaAccurate identification of factors that primarily affect the number of low-temperature cracks is crucial for selection of road materials and planning of pavement maintenance. Field investigations of lowtemperature cracks were performed in the years 2014 and 2020 on the same 68 road sections being in service in typical traffic conditions. The collected data were statistically analysed using the ordered logistic regression model....
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Justyna Zander dr inż.
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Piotr Płotka dr hab. inż.
OsobyPiotr Płotka otrzymał tytuł zawodowy magistra inżyniera w 1976 r., a stopień doktora w dyscyplinie elektronika w 1985 r. – nadane przez Wydział Elektroniki Telekomunikacji i Informatyki Politechniki Gdańskiej. W 2008 r. otrzymał stopień doktora habilitowanego, także w dyscyplinie elektronika, nadany przez Instytut Technologii Elektronowej w Warszawie. Od 1977 r. pracował w Akademii Techniczno-Rolniczej w Bydgoszczy, a od 1981...
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Andrzej Klimczuk
OsobyAndrzej Klimczuk, doktor nauk społecznych w zakresie nauki o polityce publicznej oraz socjolog. Adiunkt w Katedrze Polityki Społecznej Kolegium Ekonomiczno-Społecznego Szkoły Głównej Handlowej w Warszawie. W latach 2002-2009 redaktor i korespondent wydawnictw o grach komputerowych. W latach 2011-2013 wiceprezes Fundacji Laboratorium Badań i Działań Społecznych "SocLab". Ekspert zewnętrzny m.in. Komisji Europejskiej, programu URBACT,...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Hybrid battery based on arylated carbon nanotubes and laccase
PublikacjaSingle-walled carbon nanotubes (SWCNT) were covalently modified with anthracene and anthraquinone and used for the construction of cathodes for biocatalytic reduction of dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron transfer (DET) between the enzyme and the electrode. The aryl groups enter the hydrophobic pocket of the...
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Numerical simulations of novel GFRP sandwich footbridge
PublikacjaIn the following paper some aspects of numerical analysis and designing stages of a footbridge made of composite materials are elucidated. Because of the used materials the design process in this case is not ordinary and requires the development of concepts, material selections, identification of material properties, numerical simulations, strength calculations, serviceability and durability analyses. This contribution presents...
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Małgorzata Gawrycka dr hab.
OsobyMałgorzata Gawrycka, absolwentka Wydziału Zarządzania Uniwersytetu Gdańskiego, doktor habilitowana nauk ekonomicznych. W latach 2012-2020 prodziekan ds. dydaktyki Wydziału Zarządzania i Ekonomii Politechniki Gdańskiej. Obecnie dziekan Wydziału. Zainteresowania naukowe koncentrują się na zagadnieniach związanych z polityka makroekonomiczną państwa. W szczególności problematyka sytuacji na runku pracy, zmian demograficznych, kwalifikacji...
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Polycyclic aromatic hydrocarbons as test probes to investigate the retention behavior of 1,3-alternate calix[4]arene silica-bonded stationary phases
PublikacjaA series of polycyclic aromatic hydrocarbons (PAHs) of different size and shape has been used to characterize the chromatographic behavior of five calix[4]arene stationary phases in 1,3-alternate conformation synthesized in our laboratory. The selection of linear, fourring nonlinear, and five-ring PAHs gave data on selectivity changes across range of the calix[4]arene columns. Retention of the 12 aromatic solutes has been evaluated...
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Exhaled breath gas sensing using pristine and functionalized WO3 nanowire sensors enhanced by UV-light irradiation
PublikacjaThe development of advanced metal-oxide-semiconductor sensing technologies for the detection of Volatile Organic Compounds (VOCs) present in exhaled breath is of great importance for non-invasive, cheap and fast medical diagnostics. Our experimental studies investigate the effects of operating temperature selection and UV-light irradiation on improving the response of WO3 nanowire sensors towards exhaled breath exposure. Herein,...
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Modelowanie zmiennej krzywizny na długości toru zwrotnego rozjazdu
PublikacjaW pracy została przedstawiona analityczna metoda wyznaczania krzywizny toru zwrotnego rozjazdu kolejowego posiadającego na swojej długości odcinki zmiennej krzywizny. Taki rozjazd jest dedykowany w głównym stopniu kolejom dużych prędkości. Rozpatrzono dwa odrębne przypadki obejmujące liniowy przebieg krzywizny oraz przebieg nieliniowy, w postaci wielomianowej. Uzyskane rozwiązania problemu pozwalają na przyjmowanie dowolnych wartości...
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Labellum and gynostemium micromorphology in Polystachya (Orchidaceae)
PublikacjaPolystachya is a large, pantropical orchid genus of 200 species, most of which occur as epiphytes in sub-saharan Africa. The three-lobed labellum of most Polystachya species possesses a fleshy callus and various types of trichomes and papillae. In this paper, we present the results of micromorphological studies on the labellum of 20 species, representing eight of the 13 sections in the genus, using scanning electron microscopy...
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MOF/TiO2 erythrocyte-like heterostructures decorated by noble metals for use in hydrogen photogeneration and pollutant photodegradation
PublikacjaVarious metal–organic framework (MOF)/TiO2 heterostructures can be obtained by the partial hydrolysis or calcination of Ti-based MOFs. By adjusting the hydrolysis and calcination steps of NH2-MIL-125 (Ti), a novel photoactive material composed of a MOF (NH2-MIL-125 (Ti)) and TiO2, with a unique “erythrocyte” shape, was developed. Furthermore, modification of the composition prepared by the partial hydrolysis of NH2- MIL-125 (Ti)...
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New methodology for calculating cost-efficiency of different ways of voting: is internet voting cheaper?
PublikacjaNew ways of voting in elections are being sought by electoral administrations worldwide who want to reverse declining voter turnouts without increasing electoral budgets. This paper presents a novel approach to cost accounting for multi-channel elections based on local elections in Estonia. By doing so, it addresses an important gap in the academic literature in this field. The authors confirm that internet voting was most cost-efficient...
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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The investigation of the effects of counterions in protein dynamics simulations
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Materials Selection (DaPE; 1st grade; 6th semester) 21/22 PG_00053711
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Failure of austenitic stainless steel tubes during steam generator operation
PublikacjaThe article presents the failure process of austenitic stainless steels used in power devices, such as heat exchangers, steam generators, in terms of local corrosion: pitting, stress and intergranular corrosion, paying particular attention to welded joints area. The effect of steel chemical composition, microstructure, welding process and work environment was analyzed. The second part of the article presents the results of the...