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Search results for: QUANTUM MATTER CHEMISTRY
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Spin-Orbit Coupling Matrix Elements in the KRb Molecule
Open Research DataThe allowed 190 spin-orbit coupling (SOC) matrix elements have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. These SOCs are needed for investigations of areas connected with classical spectroscopy, deperturbation analysis of the observed spectra, atom-molecule and molecule-molecule...
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Nanostructures fabrication with use of electrical AFM litography
Open Research DataIn the last 10 years, one of the nanotechnological trends has been observed, consisting in the development of new variants of computer memory systems with high capacity and speed of access, using quantum dots. One of the techniques for creating nanodots and other nanostructures is based on the use of an atomic force microscope acting as a lithographic...
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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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The effect of zinc oxide concentration on dry matter content of chitosan gels in carbonic acid.
Open Research DataThe dataset contains results determining the effect of zinc oxide addition at different concentrations on the dry matter content of chitosan gels in carbonic acid after a specified time. Zinc oxide at concentrations of 0.5 and 1% was added as a powder to a 1% solution of chitosan in carbonic acid and then homogenized. Differences were observed in the...
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Nutrients, oxygen and suspended matter - Gdansk Deep (2001-2005)
Open Research DataThe results show short-term changes in the concentration of nutrients (nitrates, nitrites, ammonium ions, phosphates and total forms of nitrogen and phosphorus), dissolved oxygen and suspended particulate matter - SPM and its main components (organic carbon - POC, nitrogen - PON, phosphorus - TPP) in the water column of the Gdańsk Deep (Gdańsk Bay).
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Why does the Agile leader mindset matter the most?
Open Research DataThe literature widely states that agility is not as much an issue of the technological-methodological management approach as it is an issue of an employee’s mindset. Given that leaders play a pivotal role in any organization, this study underscores the crucial role of the agile mindset of leaders. It aims to uncover how agile mindset leaders influence...
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Suspended matter, composition and fluxes, Gdansk Deep, late spring 2001
Open Research DataParticulate organic carbon (POC) and nitrogen (PON) concentrations and fluxes were measured in the Gdańsk Deep (Gulf of Gdansk) from 30.05 to 06.06.2001. The vertical profiles of POC and PON were characterised by the highest values in the euphotic layer, a gradual decrease with depth, and an increase below the halocline. The hydrophysical conditions...
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The XPS studies revealing the surface chemistry of Cu-Sn-TiO2 nanocomposite coatings
Open Research DataThe dataset contains the X-Ray Photoelectron Spectroscopy (XPS) data of nanocomposite Cu-Sn-TiO2 coatings electrodeposited from oxalic acid bath containing Cu and Sn salts as well as TiO2 nanoparticles under various treatments: mechanical stirring, ultrasonic or none. The details of the electrodeposition process are presented in the descriptor file...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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The spontaneous electron emission and rotational predissociation lifetimes 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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The biotic and abiotic mercury at the coastal zone of Gulf of Gdańsk
Open Research DataConcentration of neurotoxin Hg (mercury) was determined monthly form 01.2012 to 05.2013 (total and suspended) in the surface microlayer and the surface water as well as in: phytoplankton, zooplankton, epilithon, epifithon, phytobenthos (macroalgae and angiosperms), zoobenthos, and in the sediment. The study was conducted in the coastal zone of the Puck...
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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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Cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 2
Open Research DataThis study presents absorbance of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 2). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 3
Open Research DataThis study presents absorbance of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 3). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Anomalous anisotropy of deuterium-grown boron-doped diamond and the role of boron-tetramers in the Mott-Insulator transition
Open Research DataWe show anisotropy in the superconductivity for boron-doped diamond thin films prepared with Microwave Plasma Assisted Chemical Vapor Deposition using deuterium-rich plasma. This anomalous phase transition is linked with the emergence of boson quantum entanglement states behaving as a bosonic insulating state. Here, we show that the superconducting...
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The XRD diffraction patterns of La0.3Sr1.7Fe1.5Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr1.7Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.5Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.5Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of La0.3Sr2Al0.1FeMoO6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr2Al0.1FeMoO6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr2Al0.1Fe1.4Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr2Al0.1Fe1.4Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of La0.3Sr1.7Al0.1Fe1.5Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr1.7Al0.1Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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Cytotoxicity of C-2028, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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Cytotoxicity of QDgreen-holo-Tf, QDred-holo-Tf, QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells_method of synthesis 1
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of QDgreen-holo-Tf, QDred-holo-Tf, QDgreen-holo-Tf-C-2028 and QDred-holo-Tf-C-2028 aginst H460 cancer cells (method of synthesis 1). Holo-Tf (transferrin) was used as a linker between quantum dots (QDs) and compound (C-2028).
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder calcined at 800oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 800oC for 12 h in air.
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The XRD diffraction patterns of LSCNT sintered at various temperatures
Open Research DataThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at various temperatures under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1W0.9O3-s precursor calcined under air atmosphere
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1W0.9O3-s precursor gel prepared using wet chemistry methods, namely modified Pechini route. The powders were calcined at 550oC for 5 h in air.
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s precursor calcined under air atmosphere
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s precursor gel prepared using wet chemistry methods, namely modified Pechini route. The powders were calcined at 550oC for 5 h in air.
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1W0.45Mo0.45O3-s precursor calcined under air atmosphere
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1W0.45Mo0.45O3-s precursor gel prepared using wet chemistry methods, namely modified Pechini route. The powders were calcined at 550oC for 5 h in air.
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The luminescence study ofNaK2Li[Li3SiO4]4:Eu coumpounds.
Open Research DataNarrowband green phosphors with high quantum efficiency are required for backlighting white light-emitting diode (WLED) devices. Materials from the A[Li3SiO4]4:Eu2+ family have recently been proposed as having superior properties to industry-standard β-SiAlON green phosphors. Here, we show that a cheap, easily synthesized host NaK2Li[Li3SiO4]4 (NKLLSO)...
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst LNCaP cancer cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst Du-145 cancer cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-FA, QDred-FA, QDgreen-FA-C-2028 and QDred-FA-C-2028 aginst H460 cancer cells. FA (folic acid) was used as a linker between quantum dots (QDs) and compound (C-2028) at different concentration (50-200 µM).
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The XRD diffraction patterns of LSCNT of different A site nonstoichiometry
Open Research DataThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s and La0.3Sr0.6Ce0.1Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The XRD diffraction patterns of Ce(Gd,Pr)O2-s samples
Open Research DataThe dataset includes XRD diffraction patterns of Ce0.8Gd0.2O2-s and Ce0.8Pr0.2O2-s sintered at 600oC under air atmosphere for 4 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst Du-145 cancer cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst LNCaP cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst H460 cancer cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder calcined at 800oC in H2
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 800oC for 12 h in H2. Pure perovskite phase was formed
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The SEM images of LSCNT reduced at 900 degrees C under H2
Open Research DataThe dataset includes SEM image of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h and reduced at 900oC under H2 for 10 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The SEM images of LSCNT reduced at 800 degrees C under H2
Open Research DataThe dataset includes SEM images of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h and reduced at 800oC under H2 for 10 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The SEM images of LSCNT reduced at 1000 degrees C under H2
Open Research DataThe dataset includes SEM images of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h and reduced at 1000oC under H2 for 10 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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Cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells
Open Research DataTis study presents absorbance values of formazan product (converted from MTT) which corresponds the cytotoxicity of C-2028, QDgreen, QDred, QDgreen-CD-FA, QDred-CD-FA, QDgreen-CD-FA-C-2028 and QDred-CD-FA-C-2028 aginst MRC-5 normal cells. FA (folic acid) with cyclodextrin (CD) was used as a linker between quantum dots (QDs) and compound (C-2028).
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The SEM images of LSCNT sintered at 1200 degrees C in air
Open Research DataThe dataset includes SEM images of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini). The grain structure can be seen on higher resolution image.
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The reductivity of the transition metals - calculations
Open Research DataThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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The Scanning Electron Microscopy images of three arthropods
Open Research DataThe dataset contains micrographs of various arthropods made with the Scanning Electron Microscopy (SEM) technique. The images were done during the laboratory with students from the Faculty of Chemistry. Among the studied species, there is a fruit fly (lat.Drosophila melanogaster), a spider (most likely Sibianor aurocinctus), and a weevil insect (Curculionoidea).
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Equilibrium constants (Keq) of reforming reactions
Open Research DataThe equilibrium constants (K) of reforming reactions in SOFC were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under biogas reforming conditions
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the biogas mixture reforming were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system for CO2/H2/H2O methanation
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of 1:2 CO:H2 syngas mixtures were supplied with this dataset
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Euilibrium composition of CH4-CO2-CO-H2-H2O-C system under various compositions syngas methanation
Open Research DataThe equilibrium compositions of CH4, CO2, CO, H2, H2O and C under the methanation reaction of various syngas mixtures (different CO/H2 ratio) were supplied with this dataset