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Wyniki wyszukiwania dla: QUANTUM SCATTERING 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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Mini Light-Emitting Diode Technology with High Quantum Efficient NIR-II Partially Inverse Spinel MgGa2O4:Cr3+,Ni2+ Nanophosphors
Dane BadawczeThe increasing demand for second near-infrared (NIR-II) region materials, which retain the advantage of minimal scattering and immense applications in the medical and NIR spectroscopy field, has led to considerable research in this region. A mini light-emitting diode (mini-LED) is essential for backlighting liquid crystal displays, indicating the need...
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Spin-Orbit Coupling Matrix Elements in the KRb Molecule
Dane BadawczeThe allowed 190 spin-orbit coupling (SOC) matrix elements have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. These SOCs are needed for investigations of areas connected with classical spectroscopy, deperturbation analysis of the observed spectra, atom-molecule and molecule-molecule...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
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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Calculations of the resistance values of 10 ratio resistors
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Calculations of material factors for a set of 20 thermistors
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Calculations of the resistance values of 20 thermistors at 100°C
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Calculations of the resistance values of 20 thermistors at 50°C
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Calculations of the resistance values of 20 thermistors at 0°C
Dane BadawczeThe presented data set is part of the research aimed at determining the actual characteristics of each thermistor in a package of twenty NTC10k type sensors.
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Ultrahigh Quantum Efficiency Near-Infrared-II Emission Achieved by Cr3+ Clusters to Ni2+ Energy Transfer
Dane BadawczeIncreasing demand for near-infrared-II (NIR-II) light sources requires improved NIR-II phosphors. We present a series of phosphors codoped with Cr3+ and Ni2+ that possess NIR-II emission with an unprecedented internal quantum efficiency (IQE) of 97.4%. Our study reveals an energy transfer mechanism involving clusters of Cr3+ where luminescent centers...
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The reductivity of the transition metals - calculations
Dane BadawczeThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Raman spectra of CPMH and CPMD
Dane BadawczeThese data contains Raman spectra of CPMH and CPMD. Raman scattering was measured with a RenishawmicroRaman spectrometer (785 nm). Sample abbreviations (CPMH, CPMD) are in agreement with the markings used in the linked publication.
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Dane BadawczeHigh 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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Raman spectroscopy analysis of synthesized sol-gel silica coatings
Dane BadawczeThese data contains Raman spectra of silica coatings synthesized using sol-gel method A and B, which were described with publication associated with this dataset. Raman scattering was measured with a Renishaw microRaman spectrometer (830 nm).
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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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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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The rovibrational energy levels of the diatomic silver anion and neutral silver dimer
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 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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Cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 2
Dane BadawczeThis study presents absorbance of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 2). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 3
Dane BadawczeThis study presents absorbance of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 3). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Supramolecular junctions of the PDA tetramers
Dane BadawczeIn 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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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Dane BadawczeWe 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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Particle size distributions (PSD) and the specific surface area (BET) results for SrxTi0.30Fe0.70O3-d materials
Dane BadawczeThis dataset contains results of particle size distributions (PSD) and BET measuremnt fot SrxTi0.30Fe0.70O3-d materials (x=0.90, 0.95, 1.00 and 1.05). The PSD of the powders were obtained using a Zetasizer Nano dynamic light scattering analyser (Malvern Panalytica). Measurements of the STF70-x solution in ethanol using backscattering mode .
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Cytotoxicity of C-2028, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells
Dane BadawczeThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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Cytotoxicity of QDgreen-holo-Tf, QDred-holo-Tf, QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 1
Dane BadawczeThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf, QDred-holo-Tf, QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 1). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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The luminescence study ofNaK2Li[Li3SiO4]4:Eu coumpounds.
Dane BadawczeNarrowband green phosphors with high quantum efficiency are required for backlighting white light-emitting diode (WLED) devices. Materials from the A[Li3SiO4]4:Eu2+ family have recently been proposed as having superior properties to industry-standard β-SiAlON green phosphors. Here, we show that a cheap, easily synthesized host NaK2Li[Li3SiO4]4 (NKLLSO)...
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst LNCaP cancer cells
Dane BadawczeThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst Du-145 cancer cells
Dane BadawczeThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells
Dane BadawczeTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst Du-145 cancer cells
Dane BadawczeTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells
Dane BadawczeThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells
Dane BadawczeTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Ambiphilic phosphorous compounds
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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Ambiphilic phosphorous compounds 2
Dane BadawczeResults of theoretical and experimental studies on ambiphilic phosphorous compounds:
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The Rayleigh model of the multipath fading channel
Dane BadawczeThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The Rayleigh fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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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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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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Equilibrium constants (Keq) of reforming reactions
Dane BadawczeThe equilibrium constants (K) of reforming reactions in SOFC were supplied with this dataset
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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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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under biogas reforming conditions
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the biogas mixture reforming were supplied with this dataset
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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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The luminescence study of (C10H16N)2MnBr4 Organic–Inorganic Hybrid
Dane BadawczeOrganic–inorganic hybrid metal halides have recently attracted attention in the global research field for their bright light emission, tunable photoluminescence wavelength, and convenient synthesis method. This study reports the detailed properties of (C10H16N)2MnBr4, which emits bright green light with a high photoluminescence quantum yield. Results...
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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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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system for CO2/H2/H2O methanation
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of 1:2 CO:H2 syngas mixtures were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O system for CO2/H2/H2O methanation
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O without C under the methanation reaction of 1:2 CO:H2 syngas mixtures were supplied with this dataset
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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Dane BadawczeIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 10% water vapour introduced
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation with 30vol.% water vapour introduced
Dane BadawczeThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset
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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...