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Search results for: OLIGOMERIC STATE
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublicationNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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The influence of rotor-stator axial gap on the aerodynamic forces generatedin the shroud clearance of a turbine stage. Part I: Pressure field
PublicationPrzedstawiono wyniki badań doświadczalnych wpływu zmiany luzu osiowego na rozkład ciśnienia w uszczelnieniu nadbandażowym stopnia powietrznej turbiny modelowej. Wykazano, że w przypadku uszczelnienia promieniowego zmiana luzu osiowego nieznacznie zmienia rozkład ciśnienia w szczelinie nadbandażowej w porównaniu ze zmianą mimośrodowości czy skośnego ustawienia osi wirnika względem osi korpusu.
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The influence of rotor-stator axial gap on the aerodynamic forces generatedin the shroud clearance of a turbine stage. Part II: Forces and moments
PublicationPrzedstawiono wyniki badań doświadczalnych wpływu zmiany luzu osiowego na wymuszenia aerodynamiczne powstające w uszczelnieniu nadbandażowym stopnia powietrznej turbiny modelowej. Wykazano, że w przypadku uszczelnienia promieniowego zmiana luzu osiowego odgrywa niewielką rolę w generowaniu sił i momentów aerodynamicznych w szczelinie nadbandażowej w porównaniu ze zmianą mimośrodowości czy skośnego ustawienia osi wirnika względem...
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Coordination states and apparent molar volumes of cobalt(II) perchlorate and cobalt(II) chloride in N,N-diethylacetamide at 25 C
PublicationWyznaczono pozorne objętości molowe Co(ClO4)2 i CoCl2 oraz elektronowe widma absorpcyjne w zakresie widzialnym roztworów Co(ClO4)2, CoCl2, Co(ClO4)2 - CoCl2, CoCl2 - LiCl w N,N-dietyloacetamidzie. Analiza pozornych objętości molowych, oraz wpływu temperatury i składu roztworów umozliwiła zidentyfikowanie kompleksów chlorkowych kobaltu(II) powstających w układzie Co(2+)-Cl(-)-DEA. Wyznaczono stałe trwałości.
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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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 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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Inventory of the historic fences in Gdańsk-Wrzeszcz district, stage between the 2010-2015.
Open Research DataThe data presents architectural survey and inventory documentation of the historic fences in Gdańsk-Wrzeszcz district, stage from the period between 2010-2015. The survey and inventory works of architectural details at the turn of the 19th and 20th centuries are documented in the form of inventory drawings prepared by students of the Faculty of Architecture,...
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Application of guided waves in the evaluation of steel-concrete adhesive connection
PublicationThe aim of the paper is the application of guided waves in the evaluation of a condition state of adhesive connection between steel and concrete. The study concerns a push-out specimen consisting of two steel plates glued to opposite faces of a concrete cube with the use of structural adhesive. Wave propagation in the specimen without external load is investigated both experimentally and numerically. The second stage of the investigation...
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IEEE JOURNAL OF SOLID-STATE CIRCUITS
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublicationOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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Indeksy demokracji i stan zaawansowania ich rozwoju dla pomiaru jakości demokracji na poziomie lokalnym - Democracy indices and current state of their advancement for measuring quality of democracy at a local level
PublicationJak mierzyć demokrację? Jak ocenić, czy jeden ustrój demokratyczny jest bardziej de-mokratyczny od innego i na jakiej podstawie to stwierdzić? Pomiary jakości demokracji na poziomie państw istnieją już od 1946 roku, a na ich podstawie powstawały indeksy demokracji jak np. Freedom House, Polity IV, czy też Varieties of Democracy. Poza poziomem państw jest zdecydowanie mniej narzędzi tego typu, a istniejące – jak np. Local Autonomy...
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Comparisson of area specific resistance of the SrTi1-xFexO3-d porous oxygen electrodes and state-of-the-art LSCF sintered at optimal conditions
Open Research DataIn this dataset are presented results of the polarization resistance of optimaly sintered SrTi1-xFexO3-d porous oxygen electrodes in symetrical cell (1000 °C; 800 °C and 800°C respectively x = 0.35; 0.50 and 0.70). For commparison were selected commercially avilable state-of-the-art LSCF (Europa) sintered at 1050 °C. The measurement temperature range...
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Rigid polyurethane foams with different flame retardants and their physical and mechanical properties
PublicationRigid polyurethane foams (PUFs) containing 3, 6 or 9 % of one of of two selected fire retardants (FR): oligomeric ethyl ethylene phosphate (Fyrol PNX) and expandable graphite (EG) were prepared, inspected and compared to foam without that fillers as the control. The thermal stability of PUFs was described by horizontal test according to norm: UL 94 HB. Compressive strength and physical properties (density, fragility and water absorption)...
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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublicationA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Epoxy Composites Filled with Natural Calcium Carbonate. 1. Epoxy Composites Obtained in the Presence of Monoperoxy Derivative of Epidian-6 Epoxy Resin
PublicationPhysico-mechanical properties of the products based on filled epoxy-oligomeric mixtures composed of Epidian-5 epoxy resin, oligoesteracrylate TGM-3 and monoperoxide derivative of Epidian-6 epoxy resin (PO) have been investigated. CaCO3 was used as a filler and polyethylene polyamine was a curing agent. The effect of PO and CaCO3 on the gel-fraction content and physico-mechanical properties was examined. Using a scanning electron...
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Bulletin of Mariupol State University. Series: Law [ Вісник Маріупольського державного університету. Серія: Право ]
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Features of load and wear of main propulsion devices on sea-going ships with piston combustion engines and their impact on changes in technical states of the systems
PublicationThe paper presents the specificity of operation of propulsion systems of seagoing ships which causes the need to control the load on them, especially on their engines called main engines. The characteristics of the load on the propulsion systems, especially on the main engines as well as on the shaft lines and propellers driven by the engines, along with the process of wear in tribological joints (sliding tribological systems)...
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Transient States during Short-circuit in a Line Powered by UPS and its Impact on Earth Fault Loop Impedance Measurement and Power Quality
PublicationThe short-circuit in a line powered by Uninterruptible Power Supply (UPS) during different UPS operation modes is presented in the article. The transient state condition related to the short-circuit in a line fed from double conversion On-line UPS is discussed in detail. The results of the measurements of earth fault loop impedance (FLI) in circuits powered by UPS with the instruments of various manufacturers are presented. The...
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Hybridization of valuation procedures as a medicine supporting the real estate market and sustainable land use development during the covid-19 pandemic and afterwards
PublicationCurrently we are facing the pandemic situation that occur all over the world. Regardless the country or even the region, the negative consequences that are expected could be very big and the level of crisis is not predictable. This situation is the challenge for the real estate market as well. Due to this fact, the authors believe that there is the time when deep transformation of approaches, procedures and awareness related to...
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The efficiency and technological reliability of biogenic compounds removal during long-term operation of a one-stage subsurface horizontal flow constructed wetland
PublicationThe paper presents the results of a study of the efficiency and technological reliability of total nitrogen and total phosphorus removal during long term operation of a one-stage constructed wetland system with subsurface horizontal wastewater flow. The flow rate of the wastewater treatment plant was 1.2m3/d during the research period. Physical and chemical analyses of raw wastewater and treated effluent were carried out in the...
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The Strategic Partnership Between India and the United States of America and How China’s Influence Challenges the India-Us Alliance in the Indo-Pacific Region
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Combined Spectroscopic Methods of Determination of Density of Electronic States: Comparative Analysis of Diffuse Reflectance Spectroelectrochemistry and Reversed Double-Beam Photoacoustic Spectroscopy
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Influence of stage of lactation and year season on composition of mares' colostrum and milk and method and time of storage on vitamin C content in mares' milk
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Example of Using Particle Swarm Optimization Algorithm with Nelder–Mead Method for Flow Improvement in Axial Last Stage of Gas–Steam Turbine
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Example of Using Particle Swarm Optimization Algorithm with Nelder–Mead Method for Flow Improvement in Axial Last Stage of Gas–Steam Turbine
PublicationThis article focuses principally on the comparison baseline and the optimized flow efficiency of the final stage of an axial turbine operating on a gas–steam mixture by applying a hybrid Nelder– Mead and the particle swarm optimization method. Optimization algorithms are combined with CFD calculations to determine the flowpaths and thermodynamic parameters. The working fluid in this study is a mixture of steam and gas produced...
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Inner-shell fragmentation of molecules into neutral fragments in high-Rydberg states induced by soft X-ray excitation with pulsed-field ionization
PublicationIn the present communication, we will show the results of measurements probing the production of neutral high-Rydberg fragments at the K edges of the molecules containing oxygen and nitrogen atoms. The experiments were performed at the Gas Phase beamline of the Elettra synchrotron radiation laboratory (Trieste, Italy), exploiting a combined soft X-ray excitation with pulsed-field ionization and ion time-of-flight (TOF) spectrometry...
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The semi-Markov model of the process of appearance of sea-going ship propupsion system ability and inability states in application to determining the reliablity of these systems
PublicationThe article presents possible application of the theory of semi-Markov processes in creating the eight-state model of the process of appearance of the propulsion systems ability and inability states on sea-going vessels performing transportation tasks in a relatively long operating time t (t → ∞). The model has been proved to be able to be successfully used for determining the reliability of the abovementioned systems. The probability...
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Mixed-ligand complexes of zinc(II), cobalt(II) and cadmium(II) with sulfur, nitrogen and oxygen ligands. Analysis of the solid state structure and solution behavior. Implications for metal ion substitution in alcohol dehydrogenase
PublicationScharakteryzowano strukturę heteroleptycznych kompleksów cynku(II), kobaltu(II) i kadmu(II) z 2-(2'-hydroksyetylopirydyną), tri-tert-butoksysilanotiolem i metanolem. Przy pomocy widm UV-Vis i NMR stwierdzono szybką wymianę N-liganda w roztworach tych kompleksów. Wyznaczono przesunięcia 15N NMR 2-(2'-hydroksyetylopirydyny) w kompleksach cynku(II) i kadmu(II). Na podstawie widm w podczerwieni i obliczeń DFT oszacowano względną moc...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Are quantum correlations symmetric?
PublicationWe provide operational definition of symmetry of entanglement: An entangled state contains symmetric entanglement if its subsystems can be exchanged (swapped) by means of local operations and classical communication. We show that in general states have asymmetric entanglement. This allows to construct nonsymmetric measure of entanglement, and a parameter that reports asymmetry of entanglement contents of quantum state. We propose...
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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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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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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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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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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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Low-dimensional bound entanglement with one-way distillable cryptographic key
PublicationIn this paper, we provide a class of bound entangled states that have positive distillable secure key rate. The smallest state of this kind is 4 circle times 4, which shows that peculiar security contained in bound entangled states does not need high-dimensional systems. We show that for these states a positive key rate can be obtained by one-way Devetak-Winter (DW) protocol. Subsequently, the volume of bound entangled key-distillable...
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The XAS spectra of O-K edges, Fe-L edges in pristine, La-, and Nb-doped SFM in 3 states: as-prepared, reduced and reoxidized
Open Research DataThis dataset contains the normalized and exported to *.txt spectra for x-ray absorption spectroscopy. The samples analyzed were strontium ferrite molybdate based, doped with lanthanum and niobium. The powders were measured in as-prepared state (denoted in filename as AP), reduced (red) and reoxidized (reox). The filenames are written accordingly: Edge_(optional:...
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Highly linear self-assembled porphyrin wires
PublicationAn efficient noncovalent assembly process involving high geometrical control was applied to a linear bis(imidazolyl zinc porphyrin) 7Zn, bearing C18 substitutents, to generate linear multiporphyrin wires. The association process is based on imidazole recognition within the cavity of the phenanthroline-strapped zinc porphyrin. In chlorinated solvents, discrete soluble oligomers were obtained after (7Zn)n was end-capped with a terminal...
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Effects of metallic silver island films on resonance energy transfer between N,N´-(dipropyl)-tetramethylindocarbocyanine (Cy3)- and N,N´-(dipro- pyl)-tetramethylindodicarbocyanine ( Cy5 )-labeled DNA.
PublicationZbadano nową metodę zwiększania odległości rezonansowego przekazywania energii poprzez umieszczanie znakowanych donorami i akceptorami oligomerów DNA pomiędzy dwoma płytkami pokrytymi nanocząsteczkami metalicznego srebra.
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Sprawozdanie z udziału w ,,Stage technique international d’archives” we Francji, Paryż, Lyon 25 III–26 IV 2019 r.
PublicationSprawozdanie z udziału w stażu technicznym dla archiwistów - Stage technique international d'archives w 2019 r.
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Self-Perceived Personal Brand Equity of Knowledge Workers by Gender in Light of Knowledge-Driven Organizational Culture: Evidence From Poland and the United States
PublicationThis study contributes to the limited literature on the personal branding of knowledge workers by revealing that a culture that incorporates knowledge, learning, and collaboration supports (explicit and tacit) knowledge sharing among employees and that sharing matters for knowledge workers’ self-perceived personal brand equity. Analysis of 2,168 cases from the United States and Poland using structural equation modeling (SEM) showed...