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Search results for: density functional calculations
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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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Compressive strength and density of cement pastes containing iron oxide (Fe3O4) nanoparticles (nanomagnetite)
Open Research Data*.ODS - open-data source spreadsheet - Dataset presenting:
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Functional and spatial structure analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, February 2021
Open Research DataThe data presents results of work within the studies of the conditions of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from February 2021. The goal of the research process was to present the functional and spatial structure analysis of the area located in Lower Sopot (Dolny Sopot) district in the...
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Open porosity and oven-dry density of concretes containing magnetite aggregate (M0-M100) mixes
Open Research DataRaw data for determination of open porosity and oven-dry densities of concretes containing different amount of magnetite aggregate (M0-M100) mixes. Sample designation is related to the publication associated with dataset.
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Open Research DataIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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TG and DTG profiles for plastics: LDPE, HDPE, PP, PD and PET
Open Research DataThe dataset includes:
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Supramolecular junctions of the PDA tetramers
Open Research DataIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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Determination of changes in viscosity of hydrogel depending on shear rate (1.1 to 55 s-1).
Open Research DataThe rheological characteristics of hydrogel were made on the basis of a viscosity measurement using a Brookfield viscometer, using LV SC4 - 25 spindle and shear rates from 1.1 to 55 s-1.
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Determination of changes in viscosity of hydrogel depending on shear rate (1.7 to 34 s-1).
Open Research DataThe rheological characteristics of hydrogel were made on the basis of a viscosity measurement using a Brookfield viscometer, using LV SC4 - 27 spindle and shear rates from 1.7 to 34 s-1.
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Determination of changes in viscosity of hydrogel depending on shear rate (6.6 to 330 s-1).
Open Research DataThe rheological characteristics of hydrogel were made on the basis of a viscosity measurement using a Brookfield viscometer, using LV SC4 - 18 spindle and shear rates from 6.6 to 330 s-1.
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Interaction of PDA monomers with Au
Open Research DataThis dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - All accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Electrochemical studies of Boron-Doped Diamond enriched Laser Induced Graphene structures
Open Research DataThis dataset contains electrochemical studies aimed to evaluate the capability of the utilization of laser-induced graphene (LIG) with incorporated boron-doped diamond nanowall (BDNW) hybrid nanostructures for microsupercapacitors. Selected results from this dataset were published in Advanced Functional Materials journal: https://doi.org/10.1002/adfm.202206097
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Pedestrian accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: Pedestrians. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Young drivers accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: young driver offender. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Motorcycle and moped accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: motorcyclists and mopeds. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Head-on accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, type of accidents: head-on. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Side-impact accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, type of accidents: Side-impact. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Run off road accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, type of accidents: Run off road. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Elderly people accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: elderly people (65+) - drivers, passengers and . vulnerable road user. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Cyclist accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: Cyclists. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Night accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, time of accidents: Night. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Excessive speed accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, cause of accidents: Excessive speed accidents. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Child accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: children - drivers, passengers and . vulnerable road user.. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Alcohol and drug accidents
Open Research DataData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: Offenders under influence of alcohol or drug - driver or pedestrian. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
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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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Interactions of PDA tetramers with the Au surfaces
Open Research DataThis dataset contains electrostatic difference potential (EDP) maps, density of states (DOS) spectra, and adsorption geometries of cyclic tetramers on the Au surface. The real polydopamine was modelled either as the cyclic tetramers in the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries with all units being the same - either...
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Experimental Study of the Influence of Noise Level on the Uncertainty Value in a Measurement System Containing an Analog-to-Digital Converter
Open Research DataFor newly developed measuring systems it is easy to estimate type B uncertainties based on the technical data of the measuring modules applied. However, it is difficult to estimate A type un-certainties due to the unknown type and level of interferences infiltrating into the measuring sys-tem. This is a particularly important problem for measurements...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from July 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in July 2020 year, during the 1st step of the monitoring. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from August 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in August 2020 year, during the 1st step of the monitoring. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from October 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from July 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from July 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from July 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from September 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from September 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from August 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from August 2020. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from October 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in October 2020 year, during the 1st step of the monitoring. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from September 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in September 2020 year, during the 1st step of the monitoring. The...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from June 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from June 2021.The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from September 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from September 2021.The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from October 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from October 2021.The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from July 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from July 2021.The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from May 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from May 2021.The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step2; stage from August 2021 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2021 year - step 2, stage from August 2021.The monitoring...
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Mechanical properties of concrete mixes M0-M100 concrete mixes
Open Research DataDataset of hardneded properties of concretes containing different amount of magnetite aggregate (M0-M100) mixes.Excel file consists results of:
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Killing kinetics analysis of C-1311 derivative with octaarginine (Compound 1-R8) against Candida albicans
Open Research DataThe datasets contain the results of killing kinetics analysis of imidazoacridinone derivative and fluconazole against C. albicans ATCC 10231. The suspensions of Candida albicans ATCC 10231 cells (500 µL) in RPMI 1640 at cell density of 104 cells /mL were added to 500 µL of RPMI 1640 medium with various concentrations of the compounds, corresponding...
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Mercury intrusion porosimetry (MIP) results of cement pastes containing iron oxide (Fe3O4) nanoparticles (nanomagnetite)
Open Research DataMercury intrusion porosimetry (MIP) data - curves of cement pastes containing iron oxide (Fe3O4) nanoparticles (nanomagnetite) in *.opju (Origin) format.
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Bio based PUR-PIR foams thermal degradation (TG) and isoconversional kinetics
Open Research DataIn the present work, we perform a thorough thermogravimetric (TG) analysis of the bio-based polyurethane – polyisocyanurate (PUR-PIR) foams in both nitrogen and oxygen atmosphere. A sustainable element of the foam was a biopolyol obtained via acid-catalyzed liquefaction of Zostera Marina and Enteromorpha Algae biomass. Based on isoconversional analysis...
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Testing of DES toxicity towards Candida subhashii
Open Research DataDataset presents results of testing toxicity of selected DES solutions in mineral salt medium towards Candida subhashii.
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, May 2021
Open Research DataThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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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...