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Wyniki wyszukiwania dla: spectra
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Theoretical Modeling of High-Resolution X-ray Spectra Emitted by Tungsten and Molybdenum Ions from Tokamak Plasmas
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Chemometric determination of solute-affected solvent vibrational spectra as a superior way of information extraction on solute solvation phenomena
PublikacjaW pracy zaprezentowano dwie chemometryczne metody wyznaczania widm zaburzonych rozpuszczalnika oraz liczby cząsteczek zaburzonych, na podstawie zmierzonych serii wibracyjnych widm FT-IR roztworów substancji. Pierwsza z metod została stworzona na podstawie Namiarowej Analizy Faktorowej (ang. Target Factor Analysis). Druga z nich wykorzystuje algorytm izolacji widm czystych składników z serii widm mieszanin. Działanie obu metod zostało...
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Small signal spectra of complex capacitance obtained on organic heterojunction formed from copper phthalocyanine and perylene dye
PublikacjaPraca przedstawia małosygnałowe widma zespolonej pojemności otrzymane na strukturze z heterozłączem organicznym CuPc/Py-PTC w zakresie 25Hz-1MHz.
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Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data
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Photoluminescence of partially reduced Eu2+/Eu3+ active centers in a NaF–Al2O3–P2O5 glassy matrix with tunable smooth spectra
PublikacjaIn this work, a series of photoluminescent materials have been synthesized based on optically transparent and chemically stable glasses of the nominal composition Na3Al2(PO4)2F3 (NaF–Al2O3–P2O5 system) doped with 1 wt% of europium. It has been shown that the synthesis conditions (mainly the temperature and duration of the melting stage under reducing conditions) strongly affected the photoluminescence spectra of the material. This...
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Effect of shallow traps on admittance spectra of the system carrying SCLC and on values of charge carrier mobility extracted from susceptance
PublikacjaThe work concerns small-signal spectra of space-charge-limited current below threshold frequency (ft) of shallow traps. It is shown that below ft the small-signal concentration of trapped charge carriers is proportional to and in phase with small-signal concentration of free charge carriers, so there is no room for “slow shallow traps”. Conductance can be reduced by the traps, however no change in the range of real capacitance...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Dimolybdenum Tetraacetate as an Auxiliary Chromophore in Absolute Configuration Determination of Amino Acids from their Circular Dichroism Spectra - Foundations and Developments
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Photoluminescence spectra of TiO2
Dane BadawczeThese data contain photoluminescence spectra of TiO2 measured at the temperature of liquid nitrogen. There is a comparison of the photoluminescence spectra of TiO2 heat treated at 400-600oC in the ambient (Ar) and reduced (H2) atmospheres. These emission spectra were recorded after TiO2 excitation with a wavelength of 290 nm
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Effect of electrode resistance on admittance spectra of planar organic device carrying SCLC and on charge carrier mobility extracted from susceptance
PublikacjaThe work presents small signal admittance spectra of a sandwich system with thin organic layer carrying a space charge limited current. The effect of series resistance of electrodes on the spectra is discussed. Spectra of small signal capacitance are added to get more detailed insight. The analysis performed shows that the series resistance can affect both parts of small signal response within a whole range of frequency. Moreover,...
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Electric transport in organic system with planar DBP/F16ZnPc junction on the basis of direct current and small signal admittance spectra analysis
PublikacjaThe objective of this work was to determine electric transport in the organic device based on a planar junction of electron donor and electron acceptor materials, namely ITO/MoO3/DBP/F16ZnPc/BCP/Ag. The analysis reported herein was based on direct current-voltage measurements and small-signal admittance spectra in the dark and under illumination. Such analysis may provide information on potential barriers, parasitic resistances...
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Structure of single KL0–, double KL1–, and triple KL2 − ionization in Mg, Al, and Si targets induced by photons, and their absorption spectra
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Reprezentatywne dla danego języka spektra odpowiedzi impulsowej kanału głosowego [Language specific spectra generated in the human vocal tract]
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Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric silver(I) complex. Chiroptical spectra, racemization barrier and molecular self-assembly
PublikacjaN,N'-dimetyloditiodiantranilid, związek o chiralności płaszczyznowej, rozdzielono na enancjomery. Optycznie czynne molekuły uzyskano w wyniku tworzenia chiralnego kompleksu N,N'-dimetyloditiodiantranilidu z solą srebrową kwasu (1S)-kamforosulfonowego. W oparciu o badania rentgenostrukturalne monokryształu uzyskanego kompleksu określono absolutną konfigurację przykoordynowanego ligandu jako (R). Enancjomery N,N'-dimetyloditiodiantranilid...
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Unusual fluorescence anisotropy spectra of three-component donor-mediator-acceptor systems in uniaxially stretched polymer films in the presence of energy transfer
PublikacjaW pracy analizowano transfer energii w układzie donor-mediator-akceptor w osiowo rozciąganych foliach polimerowych. Stwierdzono, że informacja zawarta w orientacji wektora pola elektrycznego wiązki światła wzbudzającego układ jest zachowana po zajściu procesu transferu energii pomiędzy molekułami w foliach rozciąganych. Natomiast w foliach nierozciąganych fluorescencja mediatora i akceptora jest bardzo silnie zdepolaryzowana.
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Quantitative assessment of the main antioxidant compounds, antioxidant activities and FTIR spectra from commonly consumed fruits, compared to standard kiwi fruit
PublikacjaBioactive compounds (polyphenols and ascorbic acid) and dietary fibers, and related antioxidant activities of commonly consumed apples, bananas, peaches, pears, blond and red grapefruits, pomelos, oranges, lemons, red plums, white grapes, mango, persimmon and strawberries grown in the same geographical and climatic conditions were compared with standard kiwi fruit. The presence of polyphenols was studied by Fourier transform infrared...
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FTIR spectra of V2O5 nanostructures
Dane BadawczeThe DataSet contains FTIR spectra of vanadium pentaoxide nanostructures obtained by the sol-gel with different annealing temperatures under synthetic air.
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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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Raman spectra of MXenes catalysts
Dane BadawczeData contain results from Raman spectroscopy of the Ti3C2Tx MXenes produced via acidic etching aluminum from MAX Phase (Ti3C2-Al-Ti3C2-Al-Ti3C2) using different etching agents, HF/HCl and HF/H2SO4 with different weight ratios (1:3, 1:4, and 1:5). The samples were labeled as MXene HF/HCl X:Y and MXene HF/H2SO4 X:Y, where X:Y means the acids weight ratios. ...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublikacjaParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Emission spectra of UV and fluorescent lamps
Dane BadawczeData contain emision spectra of two different UV lamps: Special "TL"E 22W/10 Black light (Philips) and Semilac UV, 36 W and also Fluorescent lamp: L22W/840 Circular Cool White, Lumilux (Osram). These spectra were recorded by USB4000 Fiber Optic Spectrometer.
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FTIR spectra of VO2 and V2O3 nanostructures
Dane BadawczeThe DataSet contains the FTIR spectra 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 400-1000C. The results show that the morphology...
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The XPS spectra of LSCNT sintered at 1200C
Dane BadawczeThe dataset includes XPS spectra of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at various temperatures under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini). The XPS spectra were collected for all species.
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Electron energy-loss spectra of isoxazole
Dane BadawczeThe 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
Dane BadawczeThe 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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Raman spectra for pyrolized natural compounds
Dane BadawczeThe presented data showcases the results of Raman spectroscopy analysis conducted on pyrolyzed natural compounds both with and without the inclusion of graphene. The study delved into four specific compounds: methylcellulose with lysine (ML), methylcellulose with lysine-graphene composite (MLG), algae (A), and algae-graphene composite (AG). Raman spectra...
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The 3d Ce XPS spectra of Ce0.9M0.1O2
Dane BadawczeThe dataset consists of 3d Ce XPS of Ce0.9M0.1O2 where (M=Mn, Fe, Co, Ni, Cu). X-ray Photoelectron Spectroscopy analysis (XPS) was performed using X-ray photoelectron spectrometer Omnicron NanoTechnology with 128-channel collector. XPS measurements were undertaken in ultra-high vacuum conditions, below 1.1x10-8 mbar. Photoelectrons were excited by an...
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Electrochemical cell impedance spectra at Eoc
Dane BadawczeThe dataset presents impedance spectrum of electrochemical cell filled with 3% NaCl solution presented in the figure below. This cell was used measured using Atlas-Sollich 0531 impedance analyser with built-in potentiostat. When changing the DC polarisation of the cell the non-linear phenomena could be observed. The impedance spectrum frequency range...
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Methane (CH4) calibration set of FTIR spectra
Dane BadawczeThe calibration spectra for CH4 concentration calibration were supplied with this dataset
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The 2p XPS spectra of transition metals in Ce0.9M0.1O2
Dane BadawczeThe dataset consists of 2p XPS spectra of transition metals in Ce0.9M0.1O2 where (M=Mn, Fe, Co, Ni, Cu). X-ray Photoelectron Spectroscopy analysis (XPS) was performed using X-ray photoelectron spectrometer Omnicron NanoTechnology with 128-channel collector. XPS measurements were undertaken in ultra-high vacuum conditions, below 1.1x10-8 mbar. Photoelectrons...
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Electrochemical cell impedance spectra at Eoc+100mV
Dane BadawczeThe dataset presents impedance spectrum of electrochemical cell filled with 3% NaCl solution presented in the figure below. This cell was used measured using Atlas-Sollich 0531 impedance analyser with built-in potentiostat. When changing the DC polarisation of the cell the non-linear phenomena could be observed. The impedance spectrum frequency range...
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Electrochemical cell impedance spectra at Eoc+200mV
Dane BadawczeThe dataset presents impedance spectrum of electrochemical cell filled with 3% NaCl solution presented in the figure below. This cell was used measured using Atlas-Sollich 0531 impedance analyser with built-in potentiostat. When changing the DC polarisation of the cell the non-linear phenomena could be observed. The impedance spectrum frequency range...
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Electrochemical cell impedance spectra at Eoc-100mV
Dane BadawczeThe dataset presents impedance spectrum of electrochemical cell filled with 3% NaCl solution presented in the figure below. This cell was used measured using Atlas-Sollich 0531 impedance analyser with built-in potentiostat. When changing the DC polarisation of the cell the non-linear phenomena could be observed. The impedance spectrum frequency range...
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Electrochemical cell impedance spectra at Eoc-200mV
Dane BadawczeThe dataset presents impedance spectrum of electrochemical cell filled with 3% NaCl solution presented in the figure below. This cell was used measured using Atlas-Sollich 0531 impedance analyser with built-in potentiostat. When changing the DC polarisation of the cell the non-linear phenomena could be observed. The impedance spectrum frequency range...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Carbon dioxide (CO2) calibration set of FTIR spectra
Dane BadawczeThe calibration spectra for CO2 concentration calibration were supplied with this dataset
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FTIR spectra of Ce0.9M0.1O2 synthesised by reverse microemulsion method
Dane BadawczeThe dataset consist of the FTIR spectra of Ce0.9M0.1O2 synthesised by reverse microemulsion method, after calcination at 500 degrees.
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The XPS spectra of Ce0.8Ni0.2O2 prepared using microemulsion method
Dane BadawczeThe dataset includes XPS spectra of Ce0.8Ni0.2O2-s sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods (microemulsion). The XPS spectra were collected for all species.
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The XPS spectra of Ce0.8Cu0.2O2 prepared using microemulsion method
Dane BadawczeThe dataset includes XPS spectra of Ce0.8Cu0.2O2-s sintered under air atmosphere. Samples were produced using aqueous soft chemistry methods (microemulsion). The XPS spectra were collected for all species.
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Electrochemical impedance spectra and CV curves of V2O5 nanocrystals
Dane BadawczeThe DataSet contains the EIS spectra for coin-cells and CV curves with the V2O5 nanocrystals obtained by the sol-gel method. Cyclic voltammetry and electrochemical impedance spectroscopy (EIS) were measured using the AUTOLAB 302N potentiostat-galvanostat under Nova software. The EIS measurements were recorded in the frequency range 100 kHz to 10 mHz...
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Electrochemical impedance spectra and CV curves of V2O5 nanorods
Dane BadawczeThe DataSet contains the EIS spectra for coin-cells and CV curves with the V2O5 nanorods obtained by the sol-gel method. Cyclic voltammetry and electrochemical impedance spectroscopy (EIS) were measured using the AUTOLAB 302N potentiostat-galvanostat under Nova software. The EIS measurements were recorded in the frequency range 100 kHz to 10 mHz for...
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X-ray diffraction spectra of the NiCo2O4 modified by carbon
Dane BadawczeThis dataset comprises XRD results for NiCo2O4 modified with carbon, varying according to the amount of carbon. In this context, the XRD data provide insights into the crystalline structure and phase composition of the NiCo2O4 material as it is modified with varying quantities of carbon. This investigation is valuable for understanding how the presence...
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Convenient identification of desulfoglucosinolates on the basis of mass spectra obtained during liquid chromatography-diode array-electrospray ionisation mass spectrometry analysis: Method verification for sprouts of different Brassicaceae species extracts
PublikacjaOver the past decade, glucosinolates (GLs) present in different tissues of Brassicaceae and their breakdown products, especially isothiocyanates formed after myrosinase catalyzed hydrolysis, have been regarded as not only environment friendly biopesticides for controlling soilborne pathogens, but most importantly as promising anticarcinogenic compounds. For these reasons, the identification and quantitative determination of the...
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Carbon (II) oxide (CO) calibration set of FTIR spectra
Dane BadawczeThe calibration spectra for CO concentration calibration were supplied with this dataset
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Raman spectra and electrochemical data of carbon nanowall with tailored defects
Dane BadawczeThis dataset comprises of Raman spectra aquired with different excitation laser sources and the electrochemical data of defect-induced carbon nanowall electrodes (CNW).
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Measurements of absorption and emission spectra of tryptophan in solutions of different pH
Dane BadawczeInvestigations of the absorption and fluorescence spectra of tryptophan in different environments were carried out, controlling the pH of the environment and the concentration of tryptophan.
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Comparison of XPS spectra of Ag3d for silver nanostructures and bulk material
Dane BadawczeAg nanostructures were prepared on borosilicate glass (Corning 1737F) and Si substrates. In both cases, the substrateswere cleaned with acetylacetone and then rinsed in ethanol. Thin Ag films (2 and 6 nm thickness) were deposited using a tabletop dc magnetron sputtering coater (EM SCD 500, Leica) in pure Ar plasma (argon, Air Products 99.999%). The...