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Search results for: THERMODYNAMIC%20STATE
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) 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 first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) 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 first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Open Research DataElectronic 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
Open Research DataElectronic 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
Open Research DataElectronic 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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Energy Security of Polish Consumers in 2004-2021
Open Research DataEnergy security is one of the most important components of economic security. It is influenced not only by access to energy sources and the economic situation of the state and the individual consumer. In the years 2004–2021, energy security of the individual consumer in the economic dimension significantly improved. This was due to several factors:1....
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XPS measurement of the Fe-Ti based materials
Open Research DataThe 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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X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Open Research DataNiobium doped strontium vanadate based perovskite SrV1-xNbxO3-δ materials were prepared via conventional solid state reaction (SSR) method. For comparison, different samples with a various amount of niobium dopant in the structure were synthesized; x = 0; 0,2; 0,5; 0,8 and 1. Samples were sintered by two-steps: first under a pure hydrogen (purity >99.999%)...
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PIT revenues in 2012-2021 in PLN billion
Open Research DataTaxes 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 complete lists of 1D reversible number-conserving cellular automata with radius one of up to 7 states
Open Research DataThis 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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Powder x-ray diffraction pattern of polycrystalline synthetic leningradite, PbCu3V2O8Cl2
Open Research DataPolycrystalline sample of Cu2+ (S=1/2) antiferromagnetic PbCu3V2O8Cl2 (synthetic analogue of the mineral leningradite) was prepared by solid state reaction of PbCl2, CuO, and V2O5.
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Initial geometries and MD trajectories of right- and left-handed G-quadruplexes
Open Research DataDataset 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
Open Research DataThe 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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The luminescence study of Ca14Zn6Ga10−xMnxO35 coumpounds.
Open Research DataManganese in the pentavalent state (Mn 5+) is both rare and central in materials exhibiting narrow-band near-infrared (NIR) emission and is highly sought after for phosphor-converted light-emitting diodes as promising candidates for future miniature solid-state NIR light source. We develop the Ca 14 Zn 6 Ga 10−x Mn x O 35 (x = 0.3, 0.5, 1.0, 1.25, 1.5,...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe 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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Molecular geometry of phenylboronic acid
Open Research DataData 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
Open Research DataPresented 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
Open Research DataThe 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
Open Research DataThe 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
Open Research DataWe 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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Lanthanum investigations in ceramics annealed in a dry and wet atmosphere
Open Research DataCeramics based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by standard solid state reaction from oxides and carbonate powders. After sintring, samples were annealed for 2 hours or 72 hours at 300 Celsius degree in a both: wet and dry atmosphere. Results of annealing on a chemical composition and valence state of lanthanum were observed...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh 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
Open Research DataThis 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
Open Research DataAn 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
Open Research DataThe 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
Open Research DataThe 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
Open Research DataThe 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
Open Research DataIn 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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SPTNO ceramics measured by XPS method
Open Research DataSPTNO (Sr-Pr-Ti-Ni-O) ceramic were manufactured by solid state reaction, from oxides compounds. Synthesis conducted in air atmosphere at temperature in a range of 800-900 deg. Chemical composition of prepared materials were measured by XPS (X-Ray photoemision spectroscopy) method. UHV OmicronNanotechnology system with 128 channel Argus hemispherical...
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XPS study of the TiO2-WO2 composites
Open Research DataValence 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)
Open Research DataThe 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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Structure of the register of immovable monuments under the primary function – comparison of 2017 and 2024
Open Research DataThis 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
Open Research DataThis 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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Tax support mechanisms for research and development projects in EU countries
Open Research DataOne 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
Open Research DataAnticorrosive 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
Open Research DataTax 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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The complete list of two-dimensional number-conserving ternary cellular automata
Open Research DataThis 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+
Open Research DataThis 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
Open Research DataThis 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
Open Research DataThe 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 XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 900 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The structure of the Polish banking sector in 2004-2018
Open Research DataDynamic 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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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1100 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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XPS measurements of the Fe-Pb-Si based glass
Open Research DataGlass 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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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2016 and 2024
Open Research DataThis 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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Structure of the register of immovable monuments by date of individual objects – comparison of 2017 and 2024
Open Research DataThe register of monuments is the primary form of monument protection. The register for monuments in the voivodeship is kept by the voivodeship conservator of monuments in the form of separate books for immovable (book A), movable (book B), and archaeological (book C) monuments. Entries in the register of monuments are made upon application by the owner...
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Poland’s energy dependence - economic context
Open Research DataPoland does not have vast resources of non-renewable energy and no nuclear power plant, therefore the issue of the energy dependence of the state, which affects the level of energy security of the country, is an extremely important factor. It depends on both the volume of imports of energy raw materials and the policy of diversification of sources of...
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AFM images of the platinum (111) single crystal surface as delivered, without the polishing treatment
Open Research DataPlatinum (111) single crystal surface images as delivered, without polishing treatment. Topographic measurements in contact mode. NTEGRA Prima (NT-MDT) device. CSG probe 10.
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Structure of the register of immovable monuments in terms of the number of timber-framed monuments by voivodeship – comparison of 2016 and 2024
Open Research DataThis dataset compares the structure of the register of immovable monuments in Poland regarding the number of timber-framed monuments by voivodeship for 2016 and 2024. The number of timber-framed monuments in 2024 is lower than in 2016 (937 items less). The highest number of timber-framed monuments remains in Lesser Poland (2016 – 1059 monuments, 16,83%;...