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Search results for: dirac one-electron atom
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe 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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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic 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
Open Research DataAdiabatic 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
Open Research DataAdiabatic 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
Open Research DataAdiabatic 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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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
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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SEM (scanning electron microscopy) and TEM (transmission electron microscopy) images of PMD and PMH
Open Research DataThese data contains SEM (scanning electron microscopy) and TEM (transmission electron microscopy) images of PMD and PMH. TEM was performed on a FEI Tecnai F30 transmission electron microscope operating at an acceleration voltage of 200 kV. SEM was done with a SEM, XL30ESEM-FEG with an acceleration voltage of 20 KV. Sample abbreviations (PMH, PMD) are...
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Electron energy-loss spectra of isoxazole
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in isoxazole in the excitation energy range 3.5−10 eV. The data have been published in graphical form (figure 3 and figure 4) in the following paper:Ireneusz Linert, Mariusz Zubek "Excited states of isoxazole molecules studied by electron energy-loss spectroscopy"Journal...
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Electron energy-loss spectra of pyridazine
Open Research DataThe data set contains numeric values of electron energy-loss spectra measured in pyridazine in the excitation energy range 2.5−10 eV. The data have been published in graphical form (figures 3 - 6) in the following paper:
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The topography of various sialoliths by scanning electron microscopy
Open Research DataThis dataset contains SEM micrographs taken for salivary gland stones (sialolith) extracted during joint studies between the Medical University of Gdansk and Gdansk University of Technology. Three different types of stones were examined, as discussed in the article: 10.1111/odi.13708
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The Scanning Electron Microscopy images of three arthropods
Open Research DataThe dataset contains micrographs of various arthropods made with the Scanning Electron Microscopy (SEM) technique. The images were done during the laboratory with students from the Faculty of Chemistry. Among the studied species, there is a fruit fly (lat.Drosophila melanogaster), a spider (most likely Sibianor aurocinctus), and a weevil insect (Curculionoidea).
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The spontaneous electron emission and rotational predissociation lifetimes 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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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.
Open Research DataThis 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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Evaluation of the content of zinc compounds in polyethylene films using scanning electron microscopy
Open Research DataThe dataset contains the results of in the form of micrographs made using a scanning electron microscope (SEM) S–3400N (Hitachi, Hyogo, Japan) using backscattered electron (BSE) detector. SEM was equipped with tungsten filament. The accelerating voltage was 25 kV. Utilization of BSE detector allowed to increase the contrast of local areas varying in...
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The scanning electron microscopy (SEM) studies of low voltage copper cables
Open Research DataThe dataset contains the scanning electron microscopy (SEM) images of the low voltage copper cables, which were studied in the article discussing the regulatory requirements for checking the electrical resistance of such cables. The cables were cut and studies in cross-section. The full results were published in:
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Scanning Electron Microscopy images of nanocubes suspension 1 month after synthesis
Open Research DataThis dataset contains the SEM images of the gold nanocubes suspension in citrate buffer. The goal of the study was to evaluate the size of the synthesized nanocubes, their stability one month after the synthesis process, and to verify the optimal conditions regarding nanocubes concentration for the SEM analysis. Solutions with two different AuNC concentrations...
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Scanning electron microscopy (SEM) images of the boron-dopied diamond surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of diamond electrodes on different substrates. The diamond surface is characterized by an aggregation of crystals that do not form a continuous layer.
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Scanning electron microscopy (SEM) images of the boron-dopied diamond surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of diamond electrodes on silicon substrates. The diamond surface is characterized by ultra-crystalline diamonds obtained by CVD synthesis.
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Opposite pressure impact on electron-phonon coupling in Eu2+ and Ce3+ doped AlN
Open Research DataThis data analyzes the influence of pressure on electron–lattice interactions in the 5d excited states of Ce3+ and Eu2+ in the AlN host based on pressure-dependent photoluminescence and photoluminescence excitation spectra. High-pressure measurements on AlN samples doped with Eu2+ and Ce3+ ions reveal that the Stokes shift increases with pressure for...
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Scanning electron microscopy (SEM) images of the boron-doped carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 5000ppm in the gas atmosphere during the synthesis.
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Scanning electron microscopy (SEM) images of the boron-dopied carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 1200ppm in the gas atmosphere during the synthesis.
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Scanning electron microscopy (SEM) images of the boron-doped carbon nanowalls surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of boron-doped carbon nanowalls electrodes on silicon substrates. The surface is characterized by nano-walled structures. The obtained electrodes were doped with boron at the level of [B]/[C] = 2000ppm in the gas atmosphere during the synthesis.
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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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Scanning Electron Microscopy (SEM ) images of PC-X (porous carbon materials obtained at various temperatures)
Open Research DataThese data contain SEM (scanning electron microscopy) images of PC-700 (porous carbon materials obtained at 700°C), PC-800 (porous carbon materials obtained at 800°C) and PC-900 (porous carbon materials obtained at 900°C).
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The scanning electron microscopy (SEM) studies of heavy boron-doped diamond oxidation under high-temperature
Open Research DataThe dataset contains the results of scanning electron microscopy (SEM) images of heavy boron-doped diamond (BDD) electrodes subjected to high-temperature oxidation in a furnace at 600 Celsius. The micrographs reveal the material decomposition of BDD grains due to high temperature.
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis 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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Scanning electron microscopy studies of the weld decay on SS 304 of water supply pipeline
Open Research DataThis dataset contains micrographs made with scanning electron microscope (SEM) Hitachi S-3400N, of the weld decay for water supply system pipelines made of AISI 304 stainless steel. Within the dataset one can see the different corrosion mechanisms. The micrographs were made after the Strauss test (excluding pictures labeled as pits_in_HAZ, done without...
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Scanning electron microscopy (SEM) images of boron-doped diamond thin films at poly(lactic acid)
Open Research DataThe dataset contains the photos obtained by scanning electron microscope(SEM), revealing the surface morphology and cross-section of boron-doped diamond electrodes on commercially available graphene-doped polylactide acid. The boron doping level expressed as the [B]/[C] ratio in the gas phase for these studies was 500 and 10,000 ppm. The top views of...
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Transmission electron microscope (TEM) and optical microscope images of pristine and silica-coated bismuth oxide and gadolinium oxide particles
Open Research DataCollection 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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TEM (transmission electron microscopy) images and elemental mapping EDX (energy dispersive X-ray spectroscopy) of bulk boron and borophene obtained during ball milling
Open Research DataThese 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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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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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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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 10 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 3 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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Poultry (chicken) manure biochar - Scanning Electrone Microscope (SEM) images
Open Research DataThis dataset contains scanning electron microscope images of poultry (chicken) manure biochars produced at different temperature conditions (400, 500, and 600 degrees Celsius). Imaging was carried out with an FEI Quanta FEG250 scanning electron microscope equipped with a SE-ETD detector (secondary electron - Everhart-Thornley detector) and a 20 kV accelerating...
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Scanning Electrone Microscope images of biochar produced from straw and wood chips
Open Research DataThis dataset contains scanning electron microscope images of two types of biochars derived from waste plant biomass: straw and wood chips. Imaging was performed using a scanning electron microscope, FEI Quanta FEG250. with a SE-ETD detector (secondary electron – Everhart-Thornley detector), using 20 kV accelerating voltage.
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SEM micrographs of boron-doped nanocrystalline diamond-carbon nanospikes
Open Research DataThis dataset contains the Scanning Electron Microscopy (SEM) micrographs taken for rich boron-doped carbon crystalline nanospikes/nanograss structures, at different magnifications, encoded in the labels of the images. The micrographs were made using Hitachi S-3400N SEM microscope in secondary electron mode under 20 kV accelerating voltage. No additional...
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The topography of carbon black-polylactide composite 3D printed electrodes after femtosecond laser ablation
Open Research DataThis dataset contains a series of scanning electron microscopy images revealing the topography of 3D printed carbon black-polylactide composite electrodes after laser ablation with a femtosecond laser. Different laser powers were investigated, namely: 10%, 25%, 50%, 75% and 100%. The CB-PLA electrodes were 3D printed using an Ender printer. Femtosecond laser NKT Photonics, Origami XP parameters: power at 100%...
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SEM micrographs of V2O5 nanorods as cathode material in Li-ion batteries
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanorods as cathode materials before and after the galvanostatic charge/discharge curves.
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SEM micrographs of V2O5 nanocrystals as cathode material in Li-ion batteries
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanocrystals as cathode materials before and after the galvanostatic charge/discharge curves.
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Supramolecular junctions of the PDA tetramers
Open Research DataIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Total Ionization Cross Sections of Selected Amino Acids
Open Research DataThe data set contains tabulated values of cross-sections for a single electron-impact ionization of selected amino acids (glycine, alanine, phenylalanine, proline and tryptophan) calculated using binary-encouter-Bethe method. The data have been published in graphical form (figure 1) in the following paperA.M. Sheer, P. Mozejko, G.A. Gallup, P.D. Burrow...
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SEM micrographs of VO2 and V6O13 nanostructures
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of VO2 and V6O13 thin films deposited on a silicon substrate. The as-prepared thin films were annealing under a reducing atmosphere (94% Ar, 6% H2) at 600 and 700C for 10h.
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SEM micrographs of NH4VO3 crystals - molar concetration factor after annealing
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of NH4VO3 nano_crystals obtained by the LPE-IonEx method with different morphology after annealing at 400C under argon atmosphere (with a heating rate of 10 C/min).
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SEM micrographs and photos of salivary gland stones
Open Research DataThis dataset contains SEM micrographs and high-resolution photographs taken for salivary gland stones (sialolith) extracted during joint studies between Medical University of Gdansk and Gdansk University of Technology.
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SEM micrographs of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the electron microscopy (SEM) micrographs of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the morphology of samples dependent on reaction conditions.
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SEM micrographs of morphology evolution of VO2 and V2O3 thin films obtained at 1000°C
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of VO2 and V2O3 thin films obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films were deposited on a silicon and quartz glass substrate and were annealing at 1000°C under an argon atmosphere.
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SEM micrographs of vanadium oxide nanostructures obtained by V2O5 recrystallization at 1000°C
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of vanadium oxide nanostructures on quartz glass and silicon substrates obtained by recrystallization of V2O5 thin films at 1000°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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SEM micrographs of vanadium oxide nanostructures obtained by V2O5 recrystallization at 800°C
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of vanadium oxide nanostructures on quartz glass and silicon substrates obtained by recrystallization of V2O5 thin films at 800°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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SEM micrographs of morphology evolution of VO2 and V2O3 nanostructures
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of VO2 and V2O3 nanostructures obtained by the sol-gel with different reaction conditions. The information about xerogel powder synthesis is described in the Journal of Nanomaterials. The xerogel powder was annealing under argon atmosphere in the temperature range 400-800C. The...