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Search results for: basis set optimisation
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RSM for pre-treatment optimisation
Open Research DataBox Behnken Design was prepared to define optimal contitions for biomass pretreatment
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Gdańsk University of Technology graduates’ assessment of the acquired knowledge as the basis for professional work – years 2011-2013
Open Research DataThe dataset includes data from the survey on the Gdańsk University of Technology graduates' from the years 2011-2013 on their assessment of the acquired knowledge as the basis for professional work. The survey was conducted in the period from 2013 to 2015, two years after the respondents obtained graduate status. The research sample included 3021 respondents....
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Gdańsk University of Technology graduates’ assessment of the acquired knowledge as the basis for professional work – years 2015-2016
Open Research DataThe dataset includes data from the survey on the Gdańsk University of Technology graduates' from the years 2015-2016 on their assessment of the acquired knowledge as the basis for professional work. The survey was conducted in the period from 2017 to 2018, two years after the respondents obtained graduate status. The research sample included 4500 respondents....
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Gdańsk University of Technology graduates’ assessment of the acquired knowledge as the basis for professional work – years 2017-2018
Open Research DataThe dataset includes data from the survey on the Gdańsk University of Technology graduates' from the years 2017-2018 on their assessment of the acquired knowledge as the basis for professional work. The survey was conducted in the period from 2018 to 2020, two years after the respondents obtained graduate status. The research sample included 2909 respondents....
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Polish bibliological journals - publishing policy data set
Open Research DataThe file contains the results of an analysis of the publishing policies of Polish bibliological journals conducted by librarians of the Library of the Gdansk University of Technology. Among the elements studied were Open Access status, Creative Commons license type and self-archiving practices.The survey was conducted from 2018 to 2023 on the basis...
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Calculations of material factors for a set of 20 thermistors
Open Research DataThe 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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Raw data for the paper "Mutually polarizable QM/MM model with in situ optimized localized basis functions"
Open Research DataThis dataset contains raw data used to generate plots in the paper Mutually polarizable QM/MM model with in situ optimized localized basis functions. The paper is devoted to a second generation of the TINKTEP model -- an QM/MM approach combining linear-scaling DFT (ONETEP) and a polarizable force field (AMOEBA).
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Response surface methodology for lignocellulosic biomass pre-treatment data optimisation
Open Research DataThe dataset contains results of several series of data optimised with the application of Box Behnken Design. The data were converted from miniTab software to doc files
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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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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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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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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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Analysis of spatial changes in the town of Puck with its surroundings in the years 1926, 1940, 1974, 1985, 2000, 2020 on the basis of topographic maps using the BDOT10K database
Open Research DataSpatial changes over time are extremely valuable due to the possibility of modeling forecasts. This dataset shows how Puck has evolved over a specific period of time. Thanks to this presentation of the data set, it is possible to easily recreate the appearance of the city in particular years.
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Methane (CH4) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CH4 concentration calibration were supplied with this dataset
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Carbon dioxide (CO2) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CO2 concentration calibration were supplied with this dataset
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Carbon (II) oxide (CO) calibration set of FTIR spectra
Open Research DataThe calibration spectra for CO concentration calibration were supplied with this dataset
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #24 - #25.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #24 (upper, rotating), #25 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #28 - #29.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #28 (upper, rotating), #29 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #30 - #31.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #30 (upper, rotating), #31 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #20 - #21.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #20 (upper, rotating), #21 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #22 - #23.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #22 (upper, rotating), #23 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #28 - #29.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #28 (upper, rotating), #29 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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Specimen running-in. Prep. to sliding friction tests. Ring-on-ring contact. Sintered alumina ceramics (98%). Paraffin oil lubrication. Specimen set #26 - #27.
Open Research DataSpecimen running-in procedure. Preparation to sliding friction tests in ring-on-ring contact. Sintered alumina ceramics (98%) in self-mated contact. Lubrication: paraffin oil. Sliding velocity: 0.2 m/s. Mean contact stress: 10 MPa. Test rig: PT-3 Tribometer. Specimen set #26 (upper, rotating), #27 (lower, non-rotating)CZ_PRZYS.MAT - accelerometerMOM_TAR.MAT...
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The set of 22 sessions of 14-channel eeg signals recorded during watching pictures
Open Research DataThe data were collected in order to perform research on the possibility of controlling the content displayed on the monitor screen using human emotional states extracted from EEG signals. The dataset contains recordings of 14-channel EEG signals collected from 10 persons within 22 sessions, during which 45 different random photos taken from the ImageNet...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K04
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K05
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K03
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K01
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K07
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K06
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K08
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig:...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K02
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K09
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig:...
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Optical microsc. images of wear marks on ball (JPG). Reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K06
Open Research DataOptical microscope images of wear zone on the 5mm diam. ceramic ball used in tests as the fixed specimen.Friction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K05
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K03
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K04
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K01
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - PARAFFIN OIL. Specim. set K08
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: PARAFFIN OIL. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30,...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K02
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15,...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K06
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15,...
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VIbration monitoring in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). Lubricant - DISTILLED WATER. Specim. set K07
Open Research DataVIbration monitoring in reciprocating siding friction tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DISTILLED WATER. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15,...
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Wear in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K01
Open Research DataFriction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180 and 300s. (stored in separate folders).Specimen...
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Wear in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K04
Open Research DataFriction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180 and 300s. (stored in separate folders).Specimen...
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Wear in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K05
Open Research DataFriction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180 and 300s. (stored in separate folders).Specimen...
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Wear in reciprocating siding friction tests. Ball-on-flat contact. Sintered alumina ceramics (98%). No lubrication (DRY). Specim. set K03
Open Research DataFriction and wear tests in ball-on-flat contact. Both specimens made of sintered alumina ceramics (98%) - self-mated contact.Linear reciprocating motion.Lubrication: DRY. Sliding velocity (peak): 0.1 m/s. Load (normal force): 5N. Test rig: TPZ-1 Tribometer.Running time: progressive increments of 10, 15, 30, 60, 180 and 300s. (stored in separate folders).Specimen...
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Molecular geometry of phenylboronic acid
Open Research DataData 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
Open Research DataPresented 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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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...