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Search results for: CHEMICAL THEORY OF MACHINES
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research DataThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Amplitude-distance spectroscopy in semi-contact mode
Open Research DataSince it was invented by Binnig et al. in 1986, atomic force microscopy (AFM) plays a key role in science and technology at the nanoscale. AFM is a microscopic technique that visualizes the surface topography using the attractive and repulsive forces of interaction between several atoms (in theory) of a blade attached to the end of the probe lever and...
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Chemical composition of V2O5 nanorods
Open Research DataThe DataSet contains the chemical compositions of the V2O5 nanorods on a silicon substrate. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The As-prepared thin films were annealed at 600C under a synthetic air atmosphere.
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Tables of Physical and Chemical Constants
Open Research DataFile contains short tables of physical and chemical constants that might be of use during the physics laboratory classes run in the Institute of Naval Architecture and Ocean Engineering.
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The chemical and mechanical pressure influence on chromium luminescence
Open Research DataIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...
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Chemical composition analysis of the LSNO ceramics
Open Research DataThe chemical composition of a series of La-Sb-Nb-O ceramics manufactured by the solid-phase reaction method was analyzed. The samples with a various antimony content were measured by XPS method (OmicronNanotechnology UHV system). Analysis confirmed presence of elements: La, Sb, Nb.
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Chemical properties of bismuth telluride – carbon composites.
Open Research DataCarbon nanotubes and amorphous carbon have been introduced into bismuth telluride matrix (in 0.15 and 0.30 wt % ratio) in order to investigate influence of carbon on composite’s thermoelectric properties. Composites with well-dispersed additives have been obtained by sonication and ball-milling. Chemical composition of materials was confirmed by XPS...
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Borophene Chemical Vapar Depostion
Open Research DataThe presented dataset corresponds to a nickel boride-based bifunctional electrocatalyst for overall water splitting. Developing highly efficient and durable electrocatalysts is essential for advancing renewable energy solutions. In this study, a simple one-step chemical vapor deposition (CVD) method was employed to synthesize boron-containing derivatives...
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Polymers doped by Ca or P. Chemical composition investigations
Open Research DataThe calcium and phosphorus doped polyurethane polymers (PU) were analyzed by XPS method. A series of samples with various content of Ca and P dopand - from 0% up to 21%) were selected for measutements. The chemical composition and valence state of elements were measurements using OmicronNatechnology UHV system wih Argus hemispherical photoelectron...
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Measurements of the chemical composition of LTO:Cu powders
Open Research DataLithium titanate doped by copper was measured by X-ray photoemission spectroscopy (XPS). For sol-gel synthesis lithium acetate dehydrate and titanium (IV) butoxide 97% and copper (II) nitrate from Alfa Aesar were used as a reagents. Cu precursor was added in the proper weight to get an x index equal 0, 0.1 and 0.2. In the first step lithium acetate...
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Chemical investigations of the MoO3 doped by K films deposited FTO
Open Research DataMoO3 thin films were synthesized via thermal annealing of thin, metallic Mo films deposited onto the FTO substrate using a magnetron sputtering system. The influence of photointercalation of alkali metal cation (K+) into the MoO3 structure on the photoelectrochemical properties of the molybdenum trioxide films was investigated. The chemical characterisation...
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Depth profile of the chemical composition of the Au-Ag multilayers
Open Research DataSilver and gold multilayers were deposited on a silicon substrate by magnetron sputtering method. Both type, Au and Ag thin films had 2 nm of thickness. Totally structure had thickness of 6 nm (Au-Ag-Au). That prepared multilayers were measured by XPS method. To obtain a depth profile of chemical composition, an Argon ion (Ar+) gun was used for etching...
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bio-based polyester polyols - chemical structure of Miniatura 4 proper samples
Open Research DataPresented results are related with project MINIATURA 4 realization. At the document, the chemical structure of bio-based polyester polyols (poly(propylene-co-propan-1,2,3-triol succinate)s) are presented as analysis of FTIR and H NMR spectroscopy.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2005
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2005. The examined material consisted of water samples collected from 15 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2009
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2009. The examined material consisted of water samples collected from 16 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2004
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2004. The examined material consisted of water samples collected from 15 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2011
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2011. The examined material consisted of water samples collected from 16 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2009
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2009. The examined material consisted of water samples collected from 16 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2010
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2010. The examined material consisted of water samples collected from 16 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical and microbiological testing of watercourses around the municipality of Gdańsk in 2003
Open Research DataThe dataset contains the results of a bacteriological and physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2003. The examined material consisted of water samples collected from 14 watercourses within the administrative boundaries of Gdańsk, Poland.
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The results of physico – chemical monitoring of watercourses around the municipality of Gdańsk in 2016
Open Research DataThe dataset contains the results of a physico-chemical study of watercourses waters within the administrative boundaries of Gdańsk city in 2016. The examined material consisted of water samples collected from 16 watercourses (5 rivers, 6 streams, 2 storm water sewers, 1 artificial canal, 1 artificial arm of a river and 1 drainage trench) flowing directly...
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Chemical and structural studies of screen-printed carbon electrodes (SPCE) with boron-doped diamond foils
Open Research DataThis dataset contains chemical analyses and structural studies by XPS and Raman spectroscopy, carried out for SPCE containing boron-doped diamond BDD foils done with scanning electron microscope. Different points for XPS analysis mark different electrode spots: A) working electrode, B) reference electrode, C) counter electrode, D) pads.
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Chemical composition of tellurium oxides thin films deposited by magnetron sputtering method
Open Research DataThin films were prepared by radio frequency reactive magnetron sputtering technique. Metallic Te target was sputtered for about 45 min in argon-oxygen atmosphere what resulted in 300 nm film thickness deposition. The pressure in the chamber was below 0.2 Pa and substrate was heated at 200 °C. The distance between sputtered target and the Corning 1737...
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Chemical composition of La-Sr-Ce-Ni-Ti ceramics material measured by XPS method
Open Research DataLa-Sr-Ce-Ni-Ti (LSCNT) based ceramics sample was manufactured by standard solid state reaction.Prepared powder was pressed into pilled and sintered in a furnace in air atmosphere for 10h. Annealing temperature was 1200 Celsius degree. To calculate chemical composition and determine valence states of the elements, X-Ray photoemission spectroscopy (XPS)...
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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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Depth chemical profile in a CeIr3 sample
Open Research DataThe polycrystalline sample of CeIr3 used in the present studies was synthesized by arc-melting cerium (4N) and iridium (3N5) in an arc furnace on a water-cooled copper hearth using a tungsten electrode under a high purity argon atmosphere. A piece of zirconium was used as an oxygen getter. First, a button of Ir was prepared by arc-melting the iridium...
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Chemical analysis of the Au-Ag nanoaloys
Open Research DataThe nanostructures of AuAg nanoalloys were prepared by sequential sputtering of gold and silver thin films. Single layer thickness was usually 2.8 nm were deosted by magnetron sputtering method in a Ar plasma. As deposited layers were annealed in Ar atmosphere at 550 degress for 15 minutes. For XPS measurements five samples were selected: pure gold...
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Analysis of the chemical composition of MnO-B2O3 glass
Open Research DataStructural and thermal properties of xMnO−(100−x)B2O3 (where x = 40, 50 and 60 mol%) glass samples have been investigated with the employment of various techniques. Fourier transform infrared spectroscopy results revealed the influence of MnO on glass matrix. Decrease of B–O bond-related band intensities has been observed. MnO addition was found to...
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Chemical investigation of the Al2O3 ultra-thin films
Open Research DataUltra-thin layers of oluminum oxide (Al2O3) were deposited by ALD method. Atomic layer deposition provides precise thickness control down to a single atomic layer. The precursors used were trimethylaluminum (Sigma-Aldrich) and purified water. The deposition of the atomic layer was carried out at 200 °C. Samples with a thickness of 2 and 8 nm of alumina...
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Influence of the annealing condictions on the chemical structure of LaBaGdCo ceramics
Open Research DataCeramic samples based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by solid state reaction. After sintring in a furnance, samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology. XPS analysis...
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Effect of particle size of aluminosilicate microspheres on the change of hydration heat of cement mortars and selected physical, chemical, and mechanical properties.
Open Research DataThis subject of the work is the study of selected properties of cement mortars containing two fractions of aluminosilicate microspheres with grain size in the range of 125 to 250 μm and from 250 to 500 μm. Mortar mixtures with ordinary Portland cement (OPC 42.5R) and three substitution rates of cement by microspheres, 1.5%, 3.5%, and 5.0%, were investigated....
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Graphene oxide thin films deposited on a PCB board - chemical analysis
Open Research DataGraphene oxides based films were measured by X-ray photoemission spectroscopy (XPS) method. TheXPS measurements were carried out with the Omicron NanoTechnology UHV equipment. The hemispherical spectrophotometer was equipped with a 128-channel collector. The XPS measurements were performed at room temperature at a pressure below 1.1 × 10−8 mBar. The...
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The influence of chitosan hydrogel cross-linking by agarose on coating physico-chemical properties
Open Research DataThis dataset contains various physicochemical analyses showing the effect of different concentration of chitosan and the cross-linking agent agarose. Each sample is labeled by C and A representing chitosan and agarose concentrations, respectively, while the exact amounts are depicted in the attached table. Fourier-transform infrared (FT-IR) spectroscopy...
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Study of the chemical state of Gd in a Ba-La-Gd-Co based ceramic
Open Research DataBarium, Lanthanum, Gadolinium and Cobaltium precursors were used for production of ceramic materials. Samples were produced by standard solid state reaction. Samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing on a Gadolinum were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology....
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Bio-based polyester polyols for polyurethane foams - chemical structure of reference sample
Open Research DataPresented dataset includes the results of FTIR and H NMR spectroscopy of bio-based polyester polyol - poly(propylene succinate) (reference sample for materials obtained during MINIATURA 4 project realization).
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Numerical results obtained by confronting experiment with theory in the article: White light thermoplasmonic activated gold nanorod arrays enable the photo-thermal disinfection of medical tools from bacterial contamination
Open Research DataThe numerical results are presented in tabular form. The results represent the course of temperature and adsorption coefficient. The numerical model is presented in the paper: White light thermoplasmonic activated gold nanorod arrays enable the photo-thermal disinfection of medical tools from bacterial contamination.
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Chemical diffusion coefficient of oxygen (D*) of the SrxTi0.30Fe0.70O3 (x=0.90, 0.95 and 1.00) at different temperatures
Open Research DataIn this dataset are presented D* values designated based on the electrical conductivity relaxation (ECR) mesurement of the SrxTi0.30Fe0.70O3 (x=0.90, 0.95, 1.00) materials. The applied temperatures were 800 °C, 750 °C, 700 °C, 650 °C, and 600 °C. Studies were performed in a small tube furnace (internal diameter ~20 mm) with 64 cm3 gas volume. During...
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The XPS studies of the CB-PLA electrodes after different surface treatments (chemical, electrochemical, enzymatic)
Open Research DataThe dataset contains the Xray Photoelectron Spectroscopy results of the studies performed under different conditions of surface activation of the CB-PLA 3D printed electrodes. The activation was performed by hydrolysis in different solvents (DMF, 1M HCl, 1M NaOH), electrolysis in 1M NaOH, enzymatic treatment in polymerase or simultaneous electrolysis...
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Instantaneous power signal measurements for bearing diagnostics
Open Research DataBearing diagnostics can be carried out based on the method, which relies on the measurement and analysis of the variability of the signal instantaneous power, defined as the product of instantaneous current and voltage power supplied to the engines. Bearing damage causes the appearance of deformations, which are in the form of additional harmonic components...
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Analysis of the instantaneous power signal for bearing diagnostics -bearing damaged
Open Research DataThe attached dataset contains the measurement results of the instantaneous values of current and voltage, recorded during the diagnostics of a damaged bearing. Bearing diagnostics can be carried out based on the method, which relies on the measurement and analysis of the variability of the signal instantaneous power, defined as the product of instantaneous...
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Chemical oxygen surface exchange coefficient (k*) of the SrxTi0.30Fe0.70O3 (x=0.90, 0.95 and 1.00) at different temperatures
Open Research DataIn this dataset are presented k* values designated based on the analysis of the electrical conductivity relaxation (ECR) mesurement of the SrxTi0.30Fe0.70O3 (x=0.90, 0.95, 1.00) materials. The applied temperatures were 800 °C, 750 °C, 700 °C, 650 °C, and 600 °C. Studies were performed in a small tube furnace (internal diameter ~20 mm) with 64 cm3 gas...
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Images of apples for the use of the Viola-Jones method. Data set no. 2 - grey scale
Open Research DataThe database contains pictures of apples made at different angles, from different sides and containing different varieties. In this way, two bases of apple images were created (each database contains 1,100 images). This set is data set no. 2 - grey scale: processed images in shades of gray. The photos were prepared for the best possible detection process...
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Au nanoparticles identifiction with the use of AFM Volta potential mapping
Open Research DataThe specific physical, chemical and electrochemical electrical properties of gold nanoparticles have led to their extensive use as high-performance chemical and biochemical sensors. The described properties relate to surface plasmon resonance, fluorescence quenching or enhancement, high electrical conductivity and light scattering. The described nanoparticles...
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Data used for article "Chemical composition and techno-functional properties of high-purity water-soluble keratein and its enzymatic hydrolysates"
Open Research DataThe dataset contains data regarding chicken feather keratin isolate (KI) obtained by reductive extraction with L-cysteine and its enzymatic hydrolysates produced by trypsin (KI-T), chymotrypsin (KI-C), pepsin (KI-P) and subtilisin (KI-S). The dataset includes data on the keratin extraction yield (% of feather solubilization), data from high-performance...
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XPS analysis of strontium titanate ceramics
Open Research DataThe chemical composition of the strontium titanite doped with yttrium and iron ceramic samples was investigated. Samples of Y0.07Sr0.93Ti0.8Fe0.2 were prepared by solid phase reaction and sintered for 24 and 48 hours. Chemical composition was measured by UHV OmicronNanotechnology XPS system. The analysis confirmed the chemical composition of the ceramics...
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Analysis of the instantaneous power signal for bearing diagnostics - bearing undamaged
Open Research DataThe attached dataset contains the measurement results of the instantaneous values of current and voltage, recorded during the diagnostics of an undamaged bearing. Bearing diagnostics can be carried out based on the method, which relies on the measurement and analysis of the variability of the signal instantaneous power, defined as the product of instantaneous...
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List of initial and final geometries of hybrid organic-inborganic perovskites
Open Research DataList 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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Depth XPS profile of vanadium pentoxide
Open Research DataVanadium pentoxide sample was manufactured by sol-gel method and deposited on a substrate by spin coating technique. To determine depth profile of chemical composition of thin film, etching by Argon ion gun was used. Thin film was etched three times. Chemical composition was measured by XPS method.
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Images of apples for the use of the Viola-Jones method. Data set no. 1 - multicolor.
Open Research DataThe database contains pictures of apples made at different angles, from different sides and containing different varieties. In this way, two bases of apple images were created (each database contains over 1,100 images). This set is data set no. 1 - multicolor: processed images in multicolor. The photos were prepared for the best possible detection process...
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Minimal number of periodic points for smooth self-maps of simply-connected manifolds
Open Research DataThe problem of finding the minimal number of periodic points in a given class of self-maps of a space is one of the central questions in periodic point theory. We consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant D_r[f] is equal to the minimal number of r-periodic points...