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Search results for: singular potential
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The exemplary Kelvin probe microscopy studies of sensitized austenitic stainless steels
Open Research DataThe dataset summarizes the results of imaging the surface potential distribution using the Kelvin probe scanning technique. Due to the fact that the potential measured in this way is proportional to the electrochemical potential of metals or intermetallic phases, it is possible to assess the nobility differences of various alloy components. In the case...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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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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Surface-dependent biological potential of spherical silver nanoparticles
Open Research DataThe growing interest in silver nanoparticles (AgNPs) is largely driven by their significant antimicrobial potential. As carriers of reactive silver ions on a nanoscale, AgNPs are considered excellent candidates for specific antibacterial strategies. Numerous scientific studies have highlighted that AgNPs are broad-spectrum antimicrobials, with their...
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Potential energy curve, rovibrational energies and nuclear wave functions of 2 singlet Pi state in KLi dimer
Open Research DataThis data sets contains potential energy curve, energy levels and nuclear wave functions of rovibrational states of KLi dimer in 2 singlet Pi electronic state. Potential energy curve (PEC) for the electronic state was calculated in the Born-Oppenheimer approximation by the means of effective core potentials and MRCI method. Nuclear wave functions and...
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LIDAR data from a cliff measurement conducted in the vicinity of the town of Jastrzębia Góra on the Baltic Sea coast
Open Research DataMeasurement data were obtained during research related to the use of LiDAR observations to assess the stability of a coastal cliff. The collected information comes from measurements conducted in the vicinity of the town of Jastrzębia Góra on the Baltic Sea coast. The acquired point cloud constitutes a comprehensive set of data regarding the geometry...
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AFM analysis of duplex steel structure and composition
Open Research DataDue to the high content of alloying elements, duplex stainless steels are characterized by a complex structure of phase transitions. Among all types of intermetallic compounds, the sigma phase is of major interest due to its detrimental effect on both mechanical properties and corrosion behavior. It is an intermetallic phase enriched in Cr and Mo and...
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Potential energy curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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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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Probiotic strains from bee products - sequences and other data
Open Research DataThis folder contains seqences and other data necessary for evaluation of probiotic potential of bacteria islated from bee products.
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Antiviral activity of bee bread derived from polish apiaries.
Open Research DataBee bread is a product of fermentation of bee-collected pollen and revealed a high nutritional value. Other bee products, such as honey and propolis, are known for their antiviral activity, but bee bread is still under investigation, thus its antiviral potential is still unspecified. For investigation antiviral activity of bee bread samples, cytotoxicity...
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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TiO2-potential zeta in water
Open Research DataData contain results from measurements of zeta potential for powdered TiO2 in a diluted aqueous solution. The measurements were performed in Zetasizer Nano ZS analyser.
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Tax system in Poland - current situation and direction of changes
Open Research DataThe study conducted on a group of 259 entrepreneurs from various regions of Poland concerns the opinions of business owners on the current tax situation, as well as potential changes in the tax system.
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Adiabatic potential energy curves of the KRb molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Imaging and chemical investigation of silver coating
Open Research DataThe recovery of silver from materials such as plates, still used in clinical radiography [1], or scrap jewelery is still very popular. The subject of the research, part of which was microscopic imaging, was to recreate the behavior of an electrochemically deposited silver coating. The copper electrodes were covered with a layer of silver obtained from...
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Open Research DataAdiabatic 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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Antifungal activity of propolis extracts, screening and kinetic data
Open Research DataThis folder contains results of our studies aiming in determination of antifungal potential of ethanolic extracts of propolis and components of this product. In details, MIC, MFC values were determined and kill time assays were performed.
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TiO2-zeta potential
Open Research DataData contain results from the measurements of zeta potential of TiO2 versus pH. Data are saved as original files and in the format of Excel file. measurements were perfomed in Zetasizer Nano ZS with using Multi-Purpose Titrator MPT-2.
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Interaction of PDA monomers with Au
Open Research DataThis dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.
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NADES propolis extracts - update 2023 and synthesis of derivatives of propolis ingredients
Open Research DataThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced with deep eutectic solvents
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This dataset contains results of our investigation aiming in determination of antioxidant potential of the propolis extract produced in our laboratory.
Open Research DataThis dataset contains results of our investigation aiming in determination of antioxidant potential of the propolis extract produced in our laboratory. The propolis samples were delivered by Polish beekeepers. DPPH and FREAP methods were used. Moreover, total phenolic contents in the extracts were determined.
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Potential direction of changes in tax incentives
Open Research DataThe study conducted on a group of 259 entrepreneurs concerned exploring the potential direction of changes in the scope of the tax incentive system in Poland. The results of the study include answers to questions about the mechanisms of tax reliefs used so far, as well as the potentialn direction of changes in this respect.
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Antifungal activity of propolis extracts produced with deep eutectic solvents.
Open Research DataThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced with deep eutectic solvents. The activity was determined against C. albicans and C. glabarat strains. On the basis of these results MIC values can be calculated. Three samples of propolis were tested.
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Identification of intermetallic phases in the structure of austenitic steel with use of Scanning Kelvin Probe Microscopy
Open Research DataDelta ferrite is formed in austenitic steels during the solidification of the alloy and its welds. It can also occur as a stable phase in any temperature range in high-alloy austenitic-ferritic steels. Depending on the amount, it can change into gamma and sigma phases and into ferrite with variable chromium content. The main role of delta ferrite in...
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DES - polarity, pH and antioxidant potential
Open Research DataThis physicochemical properties of selected deep eutectic solvents (DES) were tested. Polarity is important for extraction efficiency. The values of pH can importantly affect growing of bacteria and yeasts strains. Total phenolic content, DPPH and FRAP methods were used for determination of antioxidant potential of the extract produced with DES.
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ
Open Research DataThis 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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MIC/MBC values of the investigated extracts of propolis. Interactions of selected extracts with azoles and echinocandins.
Open Research DataThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced in our laboratory. The propolis samples were delivered by Polish beekeepers. Moreover in this dataset we presented results of our investigation aiming in assessment of interaction of the selected extracts of propolis...
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The electrochemical impedance spectroscopy studies of cataphoretic-grown epoxy-based coatings
Open Research DataThe dataset contains electrochemical impedance spectroscopy spectra collected for epoxy-based cataphoretic coatings in order to determine the offered anti-corrosion protection. Particular spectra pertain to the coatings applied for the different magnitude of polarization potential imposed, namely 10V, 20V and 30V. The results were obtained within the...
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Galvanostatic cycling with potential limitation (GCPL) of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide) and ex-WS2 (exfoliated tungsten disulfide)
Open Research DataThese data contain results of galvanostatic cycling with potential limitation (GCPL) of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide) and ex-WS2 (exfoliated tungsten disulfide). The data were collected for samples obtained from three ex-WS2:GO dispersions - with 1:1, 1:2, and 2:1 weight ratios.
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SEM micrographs of 3D printed CB-PLA samples topography after microwave treatment
Open Research DataThis dataset contains the electrochemical studies on microwave-activated carbon-black doped polylactic acid 3D printed electrodes.
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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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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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Validation of polyurethane-wood composites properties
Open Research DataThis study focuses on the development of the PU-WC manufacturing method, the determination of properties of this type of composite, and the indication of its potential application. The mechanical properties of PU-WC were characterized by flexural tests. To determine the thermal properties, dynamic mechanical analysis (DMA) and thermogravimetric analysis...
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Sensory analysis of bread samples with the addition of beetroot
Open Research DataThe data set presents the results of the sensory analysis of bread samples with the addition of beetroot, which was carried out by the sensory profiling analysis method based on the PN-ISO 11035: 1999 standard – “Sensory analysis - Identification and selection of descriptors for determining the sensory profile using multivariate methods”. The method...
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Ways to promote and increase the level of quality at private universities in Gdańsk, Sopot and Gdynia
Open Research DataTo exist and develop, universities must first of all have someone to educate. With considerable market competition, they must undertake intense marketing activities to reach the client, i.e. the potential student. Moreover, such activities are the main goals of non-public universities and are taken into account when building a strategy. Research shows...
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Case Study NEB Atlas / part I - 3D Models / Brunnshög, Lund
Open Research DataThe data presents the results of work on the analysis of contemporary neighbourhoods. The aim of this part of the research was to create a digital model - a simplified digital twin - for selected parts of housing estates already realised in various cities in Europe. This group presents a model for a fragment of the Brunnshög district in Lund, Sweden....
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Toxoplasma godnii recombinant chimeric antigens - IgM and IgG ELISAs - mouse serum samples
Open Research DataThis study presents an evaluation of tetravalent recombinant chimeric proteins containing fragments of the Toxoplasma gondii antigens, SAG2, SAG1, GRA1, GRA2, MIC1, MAG1, ROP1 and AMA1, as potential replacements of a the soluble, whole-cell tachyzoite lysate (TLA) used in serological assays. Recombinant chimeric proteins (SAG1-MIC1-MAG1-GRA2, SAG2-GRA1-ROP1-GRA2,...
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Toxoplasma gondii recombinant chimeric antigens - IgG and IgM ELISAs - human serum samples
Open Research DataThis study presents an evaluation of tetravalent recombinant chimeric proteins containing fragments of the Toxoplasma gondii antigens, SAG1, SAG2, GRA1, GRA2, MIC1, MAG1, ROP1 and AMA1, as potential replacements of a the soluble, whole-cell tachyzoite lysate (TLA) used in serological assays. Recombinant chimeric proteins (SAG1-MIC1-MAG1-GRA2, SAG2-GRA1-ROP1-GRA2,...