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Search results for: APPROACH PARAMETERS
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Investigation of the C-1311 glucuronidation: an electrochemical approach
Open Research DataThis study was undertaken to investigate the glucuronidation of the compound C-1311 (5-diethylaminoethylamino-8-hydroxyimidazoacridinone – the model anticancer acridine derivative) using electrochemistry/mass spectrometry (EC/MS) as a complementary technique to in vitro (liver microsomes) and in silico approaches.
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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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Finite element models used in diagnostics of transverse cracks in bridge approach pavement
Open Research DataTransverse cracks in the asphalt pavement were observed on bridge structures next to single-module expansion joints with a 5 meter approach slab set at the depth of 1 m. The finite element (FE) models of the approach pavement were created to investigate the reasons of premature cracking and crack initiation mechanism over the back edge of the abutment...
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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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Results and models for Novel high frequency components with non-conventional shape employing smooth geometry deformation of 3D solid with FFD
Open Research DataThe project aims to investigate the possibility of developing and manufacturing novel high frequency devices having non-standard geometries, allowing for improved electromagnetic performance over what is achievable with currently available design tools. The non-conventional geometry will be obtained by employing the free-form shape deformation technique...
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The AFM micrographs of gold nanoparticles on silicon substrate
Open Research DataThe dataset contains the first approach towards AFM topographic imaging of gold nanoparticles synthesized and immobilized on the silicon surface. Measurements were made in the semi-contact mode on the NTEGRA Prima device, manufactured by NT-MDT. Scans were performed with amplitude detection at an operating value of 60% of the free oscillation amplitude....
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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...
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Open Research DataPhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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Uniform expansion estimates in the quadratic map as a function of the parameter, with a large range of parameters
Open Research DataThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Hourly GNSS-derived integrated moisture in the global tropics for the years 2001-2018
Open Research DataGlobal tropics are essential in formulating weather patterns and climate across various latitudes through atmospheric teleconnections. Since water vapour is an essential parameter in atmospheric convection and, thus, latent heat release, its tropical variability on different time scales is crucial in understanding weather and climate changes. The provided...
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The generalized Suzuki model of the multipath fading channel
Open Research DataThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The generalized Suzuki fading envelope is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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Results of electrical voltage measurements in reactors - part 1
Open Research DataResults of electric voltage measurements in six reactors using various plantings. These are the results of the project: Integrated approach 3M (Macrophytes-Microbiome-Modelling) to elucidate mechanisms of bioenergy production and micropollutants transformation in Floating Treatment Wetlands combined with Microbial Fuel Cells.
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Automatically created and partially veriffied Wikipedia - WordNet mappings
Open Research DataMapping between Wikipedia articles and WordNet synsets. The mappings between Wikipedia articles and WordNet synsets were obtained automatically using 4 algorithms of data processing. The automatically generated mappings were than a subject of verification by a group of volunteers using crowdsourcing approach through so called Games with a Purpose. The...
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Number of bank branches per million inhabitants in EU countries 2015
Open Research DataAccording to the data presented, over the year (2016-2017), the network of bank branches in Poland decreased by over half a thousand (currently the total number of traditional bank branches, excluding partner branches, amounts to nearly 6 thousand). It is worth noting, however, that the number of bank branches per million inhabitants is the highest...
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Experimental database of 3D lattice structure scaffolds testing
Open Research DataDataset contains results of validation (experimental testing) of 3D lattice scaffolds proposed in the paper "Mathematical approach to design 3D scaffolds for the 3D printable bone implant". There are presented three series of experimental testing for each of seven tested scaffolds:
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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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Impedance and cyclic voltammetry studies of GPLA electrodes after laser ablation
Open Research DataThe 3D printed GPLA electrodes present a brand new opportunity for electrode material for electrochemical biosensors. In order for the electrodes to be considered viable for electroanalysis studies, the pretreatment procedure must be applied in order to etch PLA matrix and reveal graphene filler. The following dataset presents an approach towards such...
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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 10 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 3 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
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...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
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...
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Wyniki sulfammox (SRAO)
Open Research DataTwo granular sequencing batch reactors were operated for 160 days under anammox conditions, comparing the Anammox process and Sulfate Reduction Ammonium Oxidation process. The study aimed to investigate whether increasing the concentration of SO42- could enhance N removal rates under anaerobic conditions, and whether SO42- reduction and anammox processes...
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Dataset for a research study on scientific productivity of Polish technical universities (Silesian University Of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.The raw data was retrieved in June 2021 by the SciVal benchmarking tool in xlsx format and will be used to create the research profiles of the universities and underlying data of journals articles.The most common definition of research productivity...
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Dataset for a research study on scientific productivity of Polish technical universities (Gdańsk Tech 2016-2020)
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities. The raw data was retrieved in June 2021 by the SciVal benchmarking tool in xlsx format and will be used to create the research profiles of the universities and underlying data of journals articles. The most common definition of research...
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Dataset for a research study on scientific productivity of Polish technical universities (Poznań University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Białystok University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Opole University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Lublin University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (University of Bielsko-Biała ATH 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Warsaw University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Rzeszów University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (AGH University of Science and Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Częstochowa University Of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Lodz University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Wrocław University of Science and Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (West Pomeranian University Of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Cracow University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Radom University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Kielce University Of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities.
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Dataset for a research study on scientific productivity of Polish technical universities (Koszalin University of Technology 2016-2020).
Open Research DataThis dataset was created for the purpose of research on scientific productivity at Polish technical universities. The raw data was retrieved in June 2021 by the SciVal benchmarking tool in xlsx format and will be used to create the research profiles of the universities and underlying data of journals articles. The most common definition of research...
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The rovibrational energy levels 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...
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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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The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers
Open Research DataThe dataset includes The changes of outlet gases concentrations from SOFC with Ce(Pr,Sm)O2-s layers. Samples were produced using aqueous soft chemistry methods (microemulsion method) and applied in form of a layer onto the anode of the commercial SOFC. The SOFC was working under biogas feeding.