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Search results for: SPECTROSCOPIC PARAMETERS
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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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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Open Research DataIn 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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Statistics of AFM current-voltage curves
Open Research DataMapping surface electrical conductivity offers enormous cognitive possibilities regarding the structure and properties of modern materials. The technique invented for this purpose (Conductive AFM) by Murrel's team and colleagues allows independent monitoring of the local conductivity of materials in correlation with the topographic profile. The mentioned...
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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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Study of the influence of the presence of Dr fimbriae on the sedimentation of recombinant Escherichia coli strains: AAEC191A and BL21(DE3)
Open Research DataCell sedimentation in the medium is a common phenomenon in most bacterial enviroments. This study specifically investigated the impact of Dr fimbriae presence on cell deposition. To explore this, recombinant Escherichia coli strains were employed, including BL21(DE3)/pCC90, BL21(DE3)/pACYCpBAD, BL21(DE3)/pCC90 Dra D-mut, BL21(DE3)/pCC90 D54-STOP, AAEC191A/pCC90,...
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Atomic force microscopy images of copper electrical contacts wear under the influence of friction
Open Research DataMeasurement of wear of copper electrical contacts under the influence of friction. Imaging in contact mode in the variant of scanning spreading resistance microscopy. Additionally, there are spectroscopic current-voltage curves showing local changes in electrical conductivity. NTEGRA Prima (NT-MDT) device. Probe NSG 01Pt.
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Morphology and conductivity investigations of nickel-molybdenium alloy by means of Scanning Spreading Resistance Microscopy
Open Research DataElectrolytically deposited nickel-molybdenum alloys are interesting materials because of their high corrosion resistance and low over-potential for hydrogen evolution. Despite many studies devoted to the deposition of these alloys, the mechanism of co-deposition is not fully understood [1]. The aim of the research was to preserve the electrochemically...
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Force-deformation spectroscopy in contact mode
Open Research DataThe deformation-distance spectroscopic curve is obtained by registering the value of the probe cantilever deflection as a function of the elongation of the piezoelectric scanner. It assumes a simple relationship in the form of Hooke’s law, linking the deformation of the lever with the amount of its deflection caused by the proximity of the probe and...
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Exemplary AFM application in cosmetology
Open Research DataAtomic force microscopy can be used in the diagnosis of the condition of human tissues such as skin, nails and hair. This is obviously related to the use of a variety of cosmetic products and can be understood as an attempt to assess their long-term impact on human appearance and health. An example may be the studies presented in [1] indicating the...
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Imaging of ferroelectric properties of sinter by means of Piezoresponse Force Microscopy
Open Research DataFerroelectricity is a property of certain materials [1], characterized by a spontaneous electrical polarization that can be reversed by applying an external electric field. Ferroelectric properties can be used to make capacitors with adjustable capacity. The permeability of ferroelectrics is not only regulated, but usually also very high, especially...
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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...