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Search results for: dft%20calculations
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SEM examination of surface layer of C45 steel after grinding on defferent depth
Open Research DataFerrite examination for the medium carbon structural steel with low content of Mn, Si, Cu, Cr and Ni after its grinding to a depth of 2 µm, 8 µm, 14 µm and 20 µm, at constant wheel circumferential speed of vs = 25 m/s and constant feed rate vft = 1 m/min. It was shown that the grinding of C45 steel causes strong work hardening of ferrite in surface...
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Magnetic field maps of an astable multivibrator in frequency range from 30 MHz to 3 GHz – selective detection
Open Research DataThe data presents a result of near field measurements of electromagnetic emissions radiated from the PCB of a small electronic device. An efficient method of modelling the magnetic and electric field emissions is the measurements in the near field using electric and magnetic probes. The attached files contain magnetic field maps created on based measurements...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Training Session" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Slow Start" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Successful Competition" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the SMR brainwaves in the mental imagery experiment in sport: the "Your Home Venue" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The study's main aim was to examine the cortical correlations of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with the...
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Fitness Activity" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Tropospheric delays derived from GNSS observations during the derecho event in Poland of 11th August 2017
Open Research DataPropagation of global navigation satellite systems (GNSS) radio signals is disturbed by the current state of the Earth's atmosphere. For this reason, advances processing of GNSS signals can be used for investigation of the atmospheric condition. In case of troposphere, the GNSS signals allow for obtain information of tropospheric delay, which is mainly...
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Selection of DES for biotrickling filtration of air polluted with hexane and cyclohexane
Open Research DataDataset covers selected data collected during selection of deep eutectic solvent (DES) additive to mineral salt medium (MSM) as a liquid phase during biotrickling filtration of air polluted with hexane and cyclohexane.
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Power of the high alpha brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Power of the low alpha brainwaves in the mental imagery experiment in sport: the "Start in High Level Championship" scenario.
Open Research DataThe data were collected to perform research on the neural oscillation during mental imagery in sport. The main aim of the study was to examine the cortical correlates of imagery depending on instructional modality (guided vs self-produced) using various sport-related scripts. The research was based on the EEG signals recorded during the session with...
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Tropospheric parameters derived from the selected IGS stations in the global tropics for the years 2001-2018
Open Research DataThis dataset contains daily GNSS-derived zenith tropospheric delay (ZTD), a posteriori corrected zenith wet delay (ZWD), and precipitable water vapour (PWV) time series. These troposphere-related data were estimated for the period between January 2001 and December 2018, for the 43 International GNSS Service (IGS) stations, located in the global tropics....
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St. Adalberd church 3D point model
Open Research DataResearch data show the church of St. Adalbert in Gdansk, Poland. Two layers are presented in the .zip file: one represents the laser scanning result, the second represents the point cloud from 36 photogrammetry images from the UAV system. The aligned point clouds formed the basis to create the high-resolution 3D model. Reference data are laser scanning...
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Simulation of perovskite-based CuI/CH3NH3PbI3/TiO2 solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/TiO2 model structure (Model 1) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Simulation of perovskite-based CuI/CH3NH3PbI3/SnO2 solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/SnO2 model structure (Model 2) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Simulation of perovskite-based CuI/CH3NH3PbI3/ZnO solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/ZnO model structure (Model 3) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Data obtained by numerical simulation for X-ray focusing using a finite difference method
Open Research DataThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. For solving the problem for an electromagnetic wave, a finite-difference method is applied.
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FTIR spectra of V2O5 nanostructures
Open Research DataThe DataSet contains FTIR spectra of vanadium pentaoxide nanostructures obtained by the sol-gel with different annealing temperatures under synthetic air.
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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FTIR spectra of VO2 and V2O3 nanostructures
Open Research DataThe 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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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit. The parameters are conversion rates, selectivities and yields of products
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Structure of ammonium vanadate synthesis by LPE-IonEx method
Open Research DataThe DataSet contains the XRD patterns, FTIR spectra of NH4VO3 crystals with different morphology obtained by the LPE-IonEx method.
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Fire Weather Index data for Poland (March – September 2019) based on high-resolution Weather Research and Forecasting Model
Open Research DataThis dataset contains forecasted FWI indices calculated for the period: March 1 - September 30, 2019, based on the meteorological fields derived from the Weather Research and Forecasting Model (WRF) ver. 4.2.1. For each day FWI data with the forecast range equal 24 and 48 hour were stored in GeoTIFF files. In addition, soil moisture and temperature...
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Parameters of land reference points in the Gdynia region and the Free-air anomaly grid of the South Baltic
Open Research DataThe data was registered during the campaign to verify the catalog value of the absolute point coordinates [point 5403 (POLREF-GORA DONAS)] of the national gravimetric control network. The data was recorded in two three-hour stationary measurement campaigns at the following points: Rozewie of the EUREF-POL network, Góra Donas POLREF, and mareograph points...
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Simulations of flows in the coastal zone of the Baltic Sea
Open Research DataThe study area is located in the Southern Baltic, within Polish Marine Areas, adjacent to the coastline in the vicinity of Lubiatowo village, where The Coastal Research Station (CRS) – a field laboratory of the Institute of Hydro-Engineering of the Polish Academy of Sciences (IBW PAN) –is situated. The numerical reconstruction of the coastal flow was...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Open Research DataElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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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...