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Filtry wybranego katalogu
Wyniki wyszukiwania dla: free energy calculations
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Dane BadawczeThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Near-Infrared III Nanophosphorswith Cr3+Ni2+ Energy Transfer for Bioimaging
Dane BadawczeIn the biomedical field, the use of fluorescence imaging in the second near-infrared (NIR-II) region is growing rapidly because it imparts the advantages of reduced autofluorescence and low photon scattering. The advantage of reduced scattering is that it increases penetration depth in vivo and improves imaging clarity. Herein, this work uses mesoporous...
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Dane BadawczeAdiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...
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Determination the method of free alcohol fermented beverage production based on roasted raw materials.
Dane BadawczeData set presents the results of monosaccharides and ethyl alcohol determination in samples of fermented cereal drink with increased health value based on barley malt and roasting of rye, chicory and beetroot, and with the addition of hops. The HPLC method with RID detector was used for determinations
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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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SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of nickel (Ni) foam as received, after photocatalysis and after oxidation at 500_C.
Dane BadawczeThis dataset contains SEM (Scanning Electron Microscopy) and SEM-EDS (Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy) images of Ni (nickel) foam as received from the supplier, after photocatalytic treatment and after oxidation at 500C. The detailed equipment and measurement data was described in "readme SEM.txt" file
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The structure of electricity production in Poland (data as at the end of 2010)
Dane BadawczeThe energy market in Poland is characterized primarily by the use of only one raw material for the production of electricity. In 2010, as much as 91.4% of electricity was produced on the basis of hard coal or lignite. Therefore, the remaining sources used for the production of electricity participated in the production of electricity to a small extent....
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Dane BadawczeIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Dane BadawczeErbium (Er) complexes are used as optical gain materials for signal generation in the telecom C-band at 1540 nm, but they need a sensitizer to enhance absorption. Na+ substitution for Ag+ and Bi3+ doping at the In3+ site is a possible strategy to enhance the broadband emission of Cs2AgInCl6, which could be used as a sensitizer for energy transfer to...
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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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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Dane BadawczeThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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The voltage on bus bars of the main switchboard of the ferry electrical power system during a layover at the port
Dane BadawczeThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard the ferry during a layover at the port.
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XPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH
Dane BadawczeXPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH. XPS spectra were obtained using Al Kɑ (hv=1486.6 eV) radiation with a Prevac system equipped with a Scienta SES 2002 electron energy analyzer operating at constant transmission energy (Ep=50 eV). Sample abbreviations (CPMD, CPMH) are in agreement with the markings used in the linked...
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Forecast of basic fuel prices in imports to Poland (constant prices in USD in 2007)
Dane BadawczeThis dataset presents price growth forecasts for conventional energy sources. It should be noted that the Ministry of Economy forecasts a more than two-fold increase in oil prices (although these forecasts may be greatly underestimated) over 23 years, an almost two-fold increase in natural gas prices and a 40% increase in coal prices.
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Gold nanocubic structures functionalization with organic layers
Dane BadawczeThis dataset contains the XPS spectra obtained for gold nanocubes (AuNC), which were deposited at the gold electrode surface and dried. The AuNC's were first functionalized with either cysteamine in EtOH or mercaptopropionic acid in EtOH. The concentration of these compounds was 20 mM. The interaction of the functionalized with the AuNC surface was...
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RES - % share in Estonia, Lithuania and Latvia
Dane BadawczeThe "RES in percentages" file shows the share of energy productionelectricity by source in Lithuania, Latvia and Estonia in the years 2000 – 2022.
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The luminescence study of Bi-doped Cs2AgInCl6 double perovskite.
Dane BadawczeHere, we report a halide precursor acid precipitation method to synthesize Cs2AgIn1−xBixCl6 (x = 0, 0.02, 0.04, 0.08, 0.16, 0.32, 0.64, and 1) microcrystals. Cs2AgInCl6 and Bi derivative double perovskites show broadband white light emission via self-trapped excitons (STEs) and have achieved the highest internal quantum efficiency of up to 52.4% at...
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Influence of the annealing condictions on the chemical structure of LaBaGdCo ceramics
Dane BadawczeCeramic samples based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by solid state reaction. After sintring in a furnance, samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology. XPS analysis...
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XPS data of MXene catalyst
Dane BadawczeData contain results from XPS measurement of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using 48% HF etching agent (MXene HF). The X-ray spectroscopy (XPS) measurements were conducted using Mg Ka (hn = 1253.6 eV) radiation in a Prevac (Poland) system equipped with a Scienta SES 2002 (Sweden) electron...
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Ambiphilic phosphorous compounds
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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Valence state of Manganium in a MnCoO ceramics
Dane BadawczeManganium -cobalt based ceramics materials were produced by solid state reaction and sintred in a furnance in air atmosphere for 20h. Annealing temperature was 600 Celsius degree. For investigations a series of samples, with a various composition was chosen: MnCoO, Mn, Co2O and Mn2CoO. In order to determine valence states of the Mn, X-Ray photoemission...
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Lanthanum investigations in ceramics annealed in a dry and wet atmosphere
Dane BadawczeCeramics 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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Tropospheric delays derived from GNSS observations during the derecho event in Poland of 11th August 2017
Dane BadawczePropagation of global navigation satellite systems (GNSS) radio signals is disturbed by the current state of the Earth's atmosphere. For this reason, advances processing of GNSS signals can be used for investigation of the atmospheric condition. In case of troposphere, the GNSS signals allow for obtain information of tropospheric delay, which is mainly...
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X-ray Photoelectron Spectroscopy studies of salivary gland stones
Dane BadawczeThis dataset contains the high-resolution XPS studies for 23 cross-sections of salivary gland stones. The sialoliths were cut to determine the differences in composition between various regions: core (labeled as R), interlayer (labeled as P) and sialolith surface (labeled as Z).
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Ambiphilic phosphorous compounds 2
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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The voltage on bus bars of the main switchboard of the ro-ro ship electrical power system during maneuvering
Dane BadawczeThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard a ro-ro ship during maneuvering.
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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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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Dane BadawczeThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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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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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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The voltage on bus bars of the main switchboard of the ferry electrical power system during a sea voyage
Dane BadawczeThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard the ferry during a sea voyage.
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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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List of initial and final geometries of hybrid organic-inborganic perovskites
Dane BadawczeList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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AFM and SSRM investiagtion of carbon nanowalls properties
Dane BadawczeStructures with limited dimensionality are of great interest in modern nanotechnology. The properties of these objects are used, among others, for the construction of modern displays or as a base for quantum computers. Carbon nanowalls, which are the subject of the imaging results contained in this collection, are also considered interesting building...
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Study of the chemical state of Gd in a Ba-La-Gd-Co based ceramic
Dane BadawczeBarium, Lanthanum, Gadolinium and Cobaltium precursors were used for production of ceramic materials. Samples were produced by standard solid state reaction. Samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing on a Gadolinum were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology....
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SESNED: Dataset for Event-Based Non-Intrusive Load Monitoring Research
Dane BadawczeSescom NILM Energy Dataset (SESNED ) description
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The chemical and mechanical pressure influence on chromium luminescence
Dane BadawczeIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...
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Ex-situ XRD (X-ray Diffraction) results for electrodes under different charge/discharge states
Dane BadawczeEx-situ XRD was employed to analyze the energy storage mechanism of CPMD in ZICs system. The ZICs were firstly charged to 1.8 V from the open circuit voltage (at around 1.3 V), then discharge to 1.0 V and 0.2 V, and finally recharged to 1.0 V and 1.8 V. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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Data recorded for the purpose of the 3D sound intensity visualization around the organ pipe (des sound)
Dane BadawczeThe set contains data recorded using the Cartesian robot and multichannel acoustic vector sensor (from Microflown) for the purpose of the 3D sound intensity visualization of radiated acoustic energy around the organ pipe.
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Experimental Study of the Influence of Noise Level on the Uncertainty Value in a Measurement System Containing an Analog-to-Digital Converter
Dane BadawczeFor newly developed measuring systems it is easy to estimate type B uncertainties based on the technical data of the measuring modules applied. However, it is difficult to estimate A type un-certainties due to the unknown type and level of interferences infiltrating into the measuring sys-tem. This is a particularly important problem for measurements...
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Visualization of the surface of the Nafion membrane
Dane BadawczeFuel cells use the chemical energy of hydrogen or other fuels to produce electricity. If the fuel is hydrogen, the only products are electricity, water and heat. Fuel cells are unique in the variety of their potential applications, they can use a wide variety of fuels. They are also highly scalable devices that can power both cars and mobile phones....
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The spontaneous electron emission and rotational predissociation lifetimes 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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Analytical and reliability data from the real-time simulator biogas plant
Dane BadawczeThe dataset represents the results of biogas plant simulation. The described plant is an agricultural biogas system, which can produce electrical energy with power estimated up to 1070 kW and heat energy that can reach 1200 kW simultaneously.
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The voltage on bus bars of the main switchboard of the ferry electrical power system during maneuvering
Dane BadawczeThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard the ferry during maneuvering.
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The voltage on bus bars of the main switchboard of the ro-ro ship electrical power system during a sea voyage
Dane BadawczeThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard a ro-ro ship during a sea voyage.
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A Fortran-95 algorithm to solve the three-dimensional Higgs boson equation in the de Sitter space-time
Dane BadawczeA numerically efficient finite-difference technique for the solution of a fractional extension of the Higgs boson equation in the de Sitter space-time is designed. The model under investigation is a multidimensional equation with Riesz fractional derivatives of orders in (0,1)U(1,2], which considers a generalized potential and a time-dependent diffusion...
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Numerical optimization of planar antenna structures using trust-region algorithm with adaptively adjusted finite differences
Dane BadawczeThe dataset contains initial designs and optimization results for three planar structures that include quasi-patch antenna for WLAN applications, compact spline-parameterized monopole dedicated for ultra-wideband applications, as well as rectifier for energy harvesting with enhanced bandwidth. The numerical results for the first two structures are also...
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Net electricity production by fuel (2006-2030)
Dane BadawczeThis dataset presents the current structure of electricity sources and a forecast of the share of individual fuels in electricity production in Poland until 2030. First of all, it should be noted the constantly growing supply of electricity. It is related to the continuous economic development, increasing consumption both by enterprises and households.
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SEM image and EDS map of SrTi0.50Fe0.50O3-d powder aglomerate
Dane BadawczeThis dataset contains image of the SrTi0.50Fe0.50O3-d powder aglomerate with EDS map analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum mode. The chemical compositions of the investigated powder were determined...
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SEM image and EDS map of SrTi0.65Fe0.35O3-d powder aglomerate
Dane BadawczeThis dataset contains image of the SrTi0.65Fe0.35O3-d powder aglomerate with EDS map analysis results. Images were obtained using a PhenomXL (Thermo Fisher Scientific, the Netherlands) scanning electron microscope (SEM) with an accelerating voltage of 10 kV in a high vacuum mode. The chemical compositions of the investigated powder were determined...