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Wyniki wyszukiwania dla: SOLID-STATE REACTION
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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XPS measurement of the Fe-Ti based materials
Dane BadawczeThe mono‐ and bimetal‐modified (Pd, Cu) titanium(IV) oxide and iron oxide (III) photocatalysts were prepared by chemical reduction method and characterized using XPS method. The composition of elements incorporated in the surface layer of mono- and bimetallic photocatalysts was determined by XPS analysis, as well as the valence state of elements. Measurements...
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PIT revenues in 2012-2021 in PLN billion
Dane BadawczeTaxes are the primary source of income for the state budget and local government units. Tax issues play an important role in the economy of each country, its citizens and economic entities that operate on the market. Taxes are the main instrument of the state's influence on the economy, as they cover almost all natural and legal persons operating on...
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The files from COMREL software used in the numerical reliability assessment of the imperfect dome's displacements
Dane BadawczeThis dataset consists of an archive with the files from COMREL software used in the numerical reliability assessment of the imperfect dome's state of displacements.
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The luminescence study of Sr2TiO4:Sm3+ coumpounds.
Dane BadawczeA luminescent material based on the strontium orthotitanate (Sr2TiO4) matrix doped with 1% of a mole of samarium was obtained using the typical solid-state synthesis method under a neutral atmosphere of nitrogen. The sample was investigated using powder X-ray diffraction (XRD) and several luminescence techniques to study the phase composition, luminescence...
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The complete lists of 1D reversible number-conserving cellular automata with radius one of up to 7 states
Dane BadawczeThis dataset contains complete lists of all one-dimensional reversible number-conserving k-ary cellular automata with radius one of up to 7 states, i.e. with state sets {0,1}, {0,1,2}, {0,1,2,3}, {0,1,2,3,4}, {0,1,2,3,4,5} and {0,1,2,3,4,5,6}.
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Initial geometries and MD trajectories of right- and left-handed G-quadruplexes
Dane BadawczeDataset contains initial geometries of 12 monomeric, 2-tetrad G-quadruplexes featuring three different loop lengths (T1, T2 and T3), adapted by the sequence GGTnGGTnGGTnGG where n=(1-3). For each loop length variant two directions of strand progression (clockwise (+) and anti-clockwise (-)) and two helicities (left-handed (LH) and right-handed (RH))...
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Analysis of the properties of the YSTF ceramics materials before and after reduction
Dane BadawczeThe valence of titanium in reduced YSTF ceramics materials was investigated. Ceramics were reduced by annealing in a hydrogen atmosphere. For comparison unreduced sample was also measured. Valance state was measured by XPS method.
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
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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AFM investigation of electrode fabricated by 3D printing
Dane Badawcze3D printing, also known as additive manufacturing, has enjoyed great interest in recent years due to the versatility of this method of producing various shapes and details. Due to the possibility of precise control of the shape and composition of the printed elements, the discussed technique can be widely used in electrochemistry, including electrochemical...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Budget revenues from selected taxes in 2010-2019
Dane BadawczeThe state is not only a user of the country's resources, a buyer and seller of goods and services, but also under duress takes part of the money from its citizens or entities that carry out activities in the form of taxes. The source of the majority of budget revenues are taxes. The following dataset contains the budget revenues from selected taxes...
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Polymers doped by Ca or P. Chemical composition investigations
Dane BadawczeThe calcium and phosphorus doped polyurethane polymers (PU) were analyzed by XPS method. A series of samples with various content of Ca and P dopand - from 0% up to 21%) were selected for measutements. The chemical composition and valence state of elements were measurements using OmicronNatechnology UHV system wih Argus hemispherical photoelectron...
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Dane BadawczeWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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Structure of the register of immovable monuments in terms of the type of architectural monuments by voivodeship - comparison of 2003 and 2024
Dane BadawczeThe following dataset compares the structure of the register of immovable monuments in Poland regarding the type of architectural monuments by voivodeship for 2003 and 2024. The dataset has been compiled based on the data in the Report analysing the state of immovable monuments (the report was prepared in 2004 based on data collected by provincial conservators...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Dane BadawczeThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Cities that will obtain the highest revenues from PIT in 2021 per capita in thous. PLN
Dane BadawczeAn example of a tax that is proportionally divided between the state (government administration) and local governments is the personal income tax. The following dataset presents the income tax revenues to the central budget, as well as the cities that obtain the highest income from the above tribute. The COVID-19 pandemic has an impact on the financial...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
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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The dataset of simulations for optimal and non-optimal rotating receiver angles of multicoil dynamic wireless power transfer system
Dane BadawczeThe provided dataset is part of the simulation results shown in related journal paper "Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer".
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LIDAR data from a topographic survey conducted in the area where the Gdańsk Głowa Fortress was located
Dane BadawczeThe measurement data was obtained during research aimed at utilizing LiDAR observations to detect remnants of the historical complex of the Gdańsk Głowa Fortress. The collected information comes from a spatial survey conducted using a scanner mounted on an unmanned aerial vehicle. This advanced measurement system allows for precise registration of the...
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Structure of FUS revenues after the first half of 2020
Dane BadawczeIn 2020 the fund received a subsidy from the state budget in the amount of PLN 20.1 billion, which constitutes 60.0% of the plan. At the same time, it should be mentioned that from 2019 the subsidy covers funds that in previous years were shown in the item reimbursement of contributions transferred to OFE. In addition, from May this year. The Social...
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XLS file with the initial data on the dome's geometry outline
Dane BadawczeThis dataset consists of an XLS file with the initial data on the dome's geometry outline.
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Autodesk AUTOCAD file with the dome's geometry outline
Dane BadawczeThis dataset consists of an Autodesk AUTOCAD file with the dome's geometry outline.The studies carried out in the "Miniatura 7" scientific grant were devoted to both experimental and theoretical (numerical) measurements executed on a tensegrity dome model (with a Fuller-type grid) to identify the changes in the state of displacements, induced by the...
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XPS study of the TiO2-WO2 composites
Dane BadawczeValence state of W and Ti was measured in a TiO2-WO3 composites with a various composition.Powder samples of pure titanium dioxide, tungsten oxide and mix of 50% titanium oxide and 50% od tungsten oxide were measured. Oxides were annealed at the temperature in the range of 300 Celsius degree up to 900 deg. Measurements were performed by XPS UHV Omicron...
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Share of enterprises' expenditure in total R&D expenditure (2009-2011)
Dane BadawczeThe countries with the highest share of enterprises in R&D expenditure are: Finåandia (67%), Germany (65.6%) and Slovenia (61.2%). On the opposite pole are Cyprus (11%), Bulgaria (16.9%) and Latvia (24.8%). The average result for the Member States in 2011 was 54.9%. It is worth noting that the countries that significantly increased the ratio of...
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The initial FEM model of the dome assembled in SOFiSTiK FEA (2020) software
Dane BadawczeThis dataset consists of an archive with the (selected) files of the initial FEM model of the dome assembled in SOFiSTiK FEA (2020) software.
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Photos and movies regarding the dome's real-life model assembly and tests
Dane BadawczeThis dataset consists of an archive with the photos and movies regarding the dome's real-life model assembly and tests.
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Structure of the register of immovable monuments in terms of the number of architectural monuments by type - comparison of 2003 and 2024
Dane BadawczeThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of architectural monuments by type for 2003 and 2024. The included types contain the following ones: sacred, defensive, public, castles, palaces, manors, parks, residential, farmhouses, industrial, cemeteries and others. The dataset has...
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Structure of the register of immovable monuments under the primary function – comparison of 2017 and 2024
Dane BadawczeThis dataset compares the structure of the register of immovable monuments in Poland under the primary function of objects for 2017 and 2024. The statement included the following primary functions of the monuments: urbanism, sacral, defence, industrial, economic, residential, public utilities, communication, cemeteries, greenery, etc. The dataset has...
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Potential energy curves of NaRb dimer
Dane BadawczeThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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Results of timber material tests from a strength testing machine
Dane BadawczeThis dataset consists of an archive with TRA files with the results of timber (wooden rolls) material tests from an universal strength testing machine.
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Tax support mechanisms for research and development projects in EU countries
Dane BadawczeOne of the important areas requiring special support from the state are activities in pro-innovative investments. Tax incentives allocated to research and development are used by practically all European Union countries. Their aim is to persuade entities conducting business activity to invest in the so-called new technologies - defined as the area of...
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XPS measurements of the iron elements covered by chromium
Dane BadawczeAnticorrosive coatings are an important issue in modern materials engineering. One of the most commonly used, for that coating materials, is chrome. Three metal elements were measured, named as Turcja, WB Tech and Nomet. Names were given according to producer of elements. XPS measurements of the Cr 2p region give an ansver concering on surface chemical...
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Cities that obtain the highest revenues from PIT in 2021 in PLN billion
Dane BadawczeTax issues play an important role in the economy of each country, its citizens and economic entities that operate on the market. Taxes are the main instrument of the state's influence on the economy, as they cover almost all natural and legal persons that operate on the market.
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Electrochemical measurements of borophene functionalized with nickel(II) oxide (NiO)
Dane BadawczeThis dataset contains linear sweep voltammetry (LSV) and chronopotentiometry (CP) technique results for borophene functionalized with nickel(II) oxide (NiO) and reference samples: ruthenium(IV) oxide (RuO2), nickel(II) oxide (NiO) and pristine borophene. Linear sweep voltammetry (LSV) results show the oxygen evolution reaction permormance of the obtained...
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The complete list of two-dimensional number-conserving ternary cellular automata
Dane BadawczeThis dataset contains a complete list of all 1327 two-dimensional number-conserving cellular automata with the state set {0,1,2} (the so-called ternary cellular automata) based on adjacent cells only, i.e. with the von Neumann neighborhood. The detailed definitions and the method of enumerating are given in the paper:
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Dual role of oxygen-related defects in the luminescence kinetics of AlNMn2+
Dane BadawczeThis dataset presents the impact of temperature and pressure on AlN:Mn2+ luminescence kinetics. Unusual behavior of Mn2+ optical properties during UV excitation is observed, where a strong afterglow luminescence of Mn2+ occurs even at low temperatures. When the temperature increases, the contribution of the afterglow luminescence is further enhanced,...
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Dane BadawczeThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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The structure of the Polish banking sector in 2004-2018
Dane BadawczeDynamic changes in the banking system in the 1990s contributed to the relative stability of the number of banks in all sectors (state-owned, private, cooperative) after 2004. The total number of banks (including credit institutions) has decreased since 2004 from 653 to 612 in 2018 - it should therefore be noted that in the analyzed period the Polish...
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XPS measurements of the Fe-Pb-Si based glass
Dane BadawczeGlass samples with nominal compositions of xFe2O3-(50-x)PbO–50SiO2, where x = 12.5, 15, 17.5 (mol%) were prepared. Analytical grade substrates were used: Fe2O3, SiO2, and PbO. The appropriate amounts of reagents were mixed in an agate mortar. The powders obtained were melted in porcelain un-enamelled crucibles in an electric furnace at a temperature...
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ
Dane BadawczeThis dataset contains results of the research on the basis of which the Figures presented in the manuscript entitled "Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ on structural, electrical, and electrochemical properties for potential oxygen electrode of intermediate temperature Solid Oxide Cells" were prepared. A detailed description...
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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2016 and 2024
Dane BadawczeThis dataset compares the structure of the register of immovable monuments in Poland regarding the number of monuments by voivodeship for 2016 and 2024. Over eight years, the number of immovable monuments has increased (over 9000 monuments increase). The historical regions impact the fact that the most immovable monuments are located in Lower Silesia,...
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Activity assay of O-Acetyl-L-homoserine sulfhydrylase (CaMet15p).
Dane BadawczeThe study aimed to obtain conditions optimal for the activity of O-acetyl-L-homoserine sulfhydrylase (CaMet15p) and a method suitable for its measurement. The selection of appropriate reaction conditions included the identification of the reaction buffer and its pH, substrate and enzyme concentrations. The activity of CaMet15p was measured by the detection...
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Assay of Cystathionine-γ-synthase (CaStr2p) activity determination.
Dane BadawczeThe study aimed to obtain conditions optimal for the activity of Candida albicans cystathionine-γ-synthase (CaStr2p) determination. The selection of appropriate reaction conditions included the identification of the reaction buffer and its pH, substrate, and enzyme concentrations. The activity of Str2p was measured by the detection of decrease of the...
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Physicochemical and photocatalytic data of TiO2/MXene/MnFe2O4 photocatalysts
Dane BadawczeThis dataset includes data regarding the physicochemical properties (i.e. XRD, DR/UV-vis, TEM images, photoluminescence) and photocatalytic activity of TiO2/MXene/MnFe2O4 photocatalysts. The data comprise the results of the photocatalytic reaction of carbamazepine and ibuprofen degradation.