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Search results for: ASPEN PLUS
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Case Study NEB Atlas / part II - Autodesk Forma analysis / Seestadt Aspern, Vienna, Austria
Open Research DataThe data present the results of the work on the analysis of modern settlements. The goal of this part of the research was to analyze housing estates already in place in various European cities. Analyses were performed in real time using artificial intelligence, and responses were searched for sun hours, daylight potential, noise, wind, and microclimate....
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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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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 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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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Open Research DataElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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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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Two-phase water-air flow measurement using gamma-ray absorption technique – plug flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: plug flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded using a dedicated EC...
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Two-phase water-air flow measurement using gamma-ray absorption technique – transitional plug – bubble flow
Open Research DataThe attached datasets contains the measurement results of the air-water flow in a horizontal pipeline. Flow type: transitional plug – bubble flow. The data shows the pulse counts of the two radiometric sets. Each of these kits consisted of a QSA Global Am-241 gamma ray source and a Tesla SKG-1 type NaI(Tl) scintillation probe. The pulses were recorded...
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XRD patterns of the V2O5 nanorods after thermal treatment under reducing atmosphere
Open Research DataThe DataSet contains the XRD patterns of V2O5 nanorods after thermal treatment under a reducing atmosphere. Samples were annealed at 450C for 2, 20, and 40h under a reducing atmosphere (94% Ar, 6% H2).
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SEM micrographs of morphology evolution of V2O5 nanostructures
Open Research DataThe DataSet contains the scanning electron microscopy (SEM) micrographs of morphology evolution of vanadium pentaoxide nanostructures obtained by the sol-gel, depending on annealing temperature under synthetic air. The results show that the morphology dependent on the annealing temperature.
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Raman studies of 3D printed CB-PLA samples after microwave treatment
Open Research DataThis dataset contains Raman spectroscopy analyses of microwave-activated carbon-black doped polylactic acid 3D printed electrodes.
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XRD patterns of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the XRD patterns of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the structure and phase compositions of samples dependent on reaction conditions.
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XRD patterns of VO2 and V6O13 nanostructures
Open Research DataThe DataSet contains the XRD patterns of VO2 and V6O13 thin films deposited on a silicon substrate. The as-prepared thin films were annealing under a reducing atmosphere (94% Ar, 6% H2) at 500, 600 and 700C for 10h.
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XRD patterns of V2O5 thin film morphology dependent on substrate types
Open Research DataThe DataSet contains the XRD patterns of the V2O5 thin film structure dependent on substrate types. The as-prepared thin films were deposited on alumina, zirconium, zirconium oxide and metallic vanadium substrate, then was annealing under an oxidizing atmosphere at 600C for 10h.
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XRD patterns of V2O5 nanostructures
Open Research DataThe DataSet contains the XRD patterns of vanadium pentaoxide nanostructures obtained by the sol-gel with different annealing temperatures under synthetic air. The results show that crystallinity dependent on the annealing temperature.
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XRD patterns of VO2 and V2O3 nanostructures
Open Research DataThe DataSet contains the XRD patterns 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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XRD patterns of vanadium oxide nanostructures on silicon substrate obtained by V2O5 recrystallization
Open Research DataThe DataSet contains the XRD patterns of vanadium oxide nanostructures on silicon substrates obtained by recrystallization of V2O5 thin films between 800-1200°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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XRD patterns of VO2 and V2O3 thin films obtained at 500°C
Open Research DataThe DataSet contains the XRD patterns of VO2 and V2O3 thin films obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (3-9 AsP layers) were deposited on a silicon substrate and were annealing at 500°C under an argon atmosphere.
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XRD patterns of vanadium oxide nanostructures on quartz glass substrate obtained by V2O5 recrystallization
Open Research DataThe DataSet contains the XRD patterns of vanadium oxide nanostructures on quartz glass substrates obtained by recrystallization of V2O5 thin films between 800-1200°C under synthetic air. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials.
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XRD patterns of VO2 and V2O3 thin films obtained at 700°C
Open Research DataThe DataSet contains the XRD patterns of VO2 and V2O3 thin films obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (5-9 AsP layers) were deposited on a silicon substrate and were annealing at 700°C under an argon atmosphere.
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Area covered by dominant tree species in the State Forests divided into stand age classes over the years 2014-2018
Open Research DataThe dataset contains data illustrating changes in distribution of dominant tree species in the State Forests divided into stand age classes over the years 2014-2018. Information about covered area is provided in ha and percentage of whole analyzed area. Dominant speciescan be defined as the species in the stand with the largest share in terms of area,...
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Area covered by dominant tree species in the State Forests divided into stand age classes over the years 2019-2023
Open Research DataThe dataset contains data illustrating changes in distribution of dominant tree species in the State Forests divided into stand age classes over the years 2019-2023. Information about covered area is provided in ha and percentage of whole analyzed area. Dominant speciescan be defined as the species in the stand with the largest share in terms of area,...
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XRD patterns of V2O5 thin films deposited on silicon substrate
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on a silicon substrate. The as-prepared thin films were annealing under an oxidizing atmosphere in the temperature range of 300-600C. The results show that the structure of the films dependent on the annealing temperature.
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XRD patterns of V2O3 nanostructures
Open Research DataThe DataSet contains the XRD patterns of V2O3 nanostructures obtained by the sol-gel with different reaction conditions. The xerogel powder was annealing under a reducing atmosphere (94% Ar, 6% H2) in the temperature range 350-700C. The results show that crystallinity dependent on the annealing temperature.
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Structure evolution of V2O5 thin films deposited on quartz glass substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on guartz glass. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the quartz glass substrate. The structure was measured in-situ during heating between 50-800°C under synthetic...
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Structure evolution of V2O5 thin films deposited on silicon substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on silicon substrates (111). The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the silicon substrate. The structure was measured in-situ during heating between 50-800°C under...
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Analytical data on molecular umbrella: cispentacin and molecular umbrella: fluorescent probe conjugates
Open Research DataAnalytical data (NMR, MS, FTIR) for nine conjugates of molecular umbrella with cispentacin, Lys(Mca) or Nap-NH2. The conjugates have been rationally designed as potential antifungal agents. 1H NMR and 13C NMR spectra were obtained at 500 MHz Varian Unity Plus spectrometer and the deuterated solvents were used as internal locks. High-resolution mass...
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XRD patterns of V2O5 thin films deposited on quartz glass
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on a quartz glass substrate. The as-prepared thin films were annealing under an oxidizing atmosphere in the temperature range 200-600C. The results show that the structure of the films dependent on the annealing temperature.
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Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
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Stand thickness of dominant tree species in the State Forests divided into stand age classes over the years 2009-2013
Open Research DataThe dataset contains data illustrating changes in the distribution of dominant tree species in the State Forests divided into stand age classes over the years 2009-2013. Dominant species can be defined as the species in the stand with the largest share in terms of area, thickness or number. Stand thickness means the gross thickness of the timber, i.e....
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Stand thickness of dominant tree species in the State Forests divided into stand age classes over the years 2014-2018
Open Research DataThe dataset contains data illustrating changes in the distribution of dominant tree species in the State Forests divided into stand age classes over the years 2014-2018. Dominant species can be defined as the species in the stand with the largest share in terms of area, thickness or number. Stand thickness means the gross thickness of the timber, i.e....
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Stand thickness of dominant tree species in the State Forests divided into stand age classes over the years 2019-2023
Open Research DataThe dataset contains data illustrating changes in the distribution of dominant tree species in the State Forests divided into stand age classes over the years 2019-2023. Dominant species can be defined as the species in the stand with the largest share in terms of area, thickness or number. Stand thickness means the gross thickness of the timber, i.e....
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XRD patterns of TeOx powder
Open Research DataThe DataSet contains the XRD patterns of the TeOx powder. The material was obtained by the sol-gel method. The starting solution was prepared by mixing telluric acid (precursor) with thetraetylene glycol, water, and ethanol. The sol was obtained by vigorously stirring precursor solution at 50°C for 2h, then the temperature was raised to 75°C for the...
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XRD patterns of V2O5 thin films deposited on isotropic etching silicon substrates (111)
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on isotropic etching silicon substrates (111). The silicon wafers were etched in a mixture of nitric acid, hydrofluoric acid, and acetic acid in the ratio of 40:1:15. The soaking time for the substrates was from 30 to 90 seconds. The thin films were obtained by the sol-gel method. ...
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Morphology and structure of V2O5 nanorods deposited on the silicon substrate after reduction
Open Research DataThe DataSet contains the XRD patterns and SEM micrographs of V2O5 nanorods on the silicon substrate after thermal treatment under a reducing atmosphere. Thin films were annealed at 500C for 40 under a reducing atmosphere (94% Ar, 6% H2).