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Search results for: SPIN-CROSSOVER TRANSITION
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Calix[4]arene-Thioamides as Ionophores for Transition and Heavy Metal cations
PublicationCalix[4]arene derivatives play an important role as sensing materials in Ion Selective Electrodes(ISEs). Nowadays a high impact is put to control in natural waters the level of toxic heavy metals, like Pb ,Cd, Hg or Cu which may cause the great risk to human health. Our goal was to design and to synthesize ligands possessing ability to bind transition and heavy metal cations. The synthesis, crystal structures,extractive and ionophoric...
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Transition Metal Oxides influence on phosphate and borate glasses structure
PublicationBorate and phosphate glasses possess many potential luminescence and optical applications. With their low melting point, they are one of the most often studied amorphous materials. In recent years these glasses, doped with transition metal oxides (TMO), gained much attention due to their tunable structural and thermal properties. Review of systems containing TMOs was presented. Additionally synthesis of binary MnO-P2O5 and MnO-B2O3...
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The 2p XPS spectra of transition metals in Ce0.9M0.1O2
Open Research DataThe dataset consists of 2p XPS spectra of transition metals in Ce0.9M0.1O2 where (M=Mn, Fe, Co, Ni, Cu). X-ray Photoelectron Spectroscopy analysis (XPS) was performed using X-ray photoelectron spectrometer Omnicron NanoTechnology with 128-channel collector. XPS measurements were undertaken in ultra-high vacuum conditions, below 1.1x10-8 mbar. Photoelectrons...
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The unstable thermoelectric effect in non-stoichiometric Cu2Se during the non-equilibrium phase transition
PublicationThe superionic α ↔ β phase transition in Cu1.96Se thermoelectric material is investigated by means of thermal analysis (DSC) and measurements of Seebeck coefficient and electrical conductivity. Results of the DSC measurements with 1–10 K/min heating and cooling rates show that the material is close to the equilibrium phase composition during the transformation. However, the kinetic limitation of the process exists, which is indicated...
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Detailed investigation of the phase transition inKxP4W8O32and experimental arguments for a charge density wave due to hidden nesting
PublicationDetailed structural and magnetotransport properties of monophosphate tungsten bronze Kx(PO2)4(WO3)8 single crystals are reported. Both galvanomagnetic and thermal properties are shown to be consistent with a charge density wave electronic transition due to hidden nesting of the quasi-1D portion of the Fermi surface. We also observe the enhancement of electronic anisotropy due to reconstruction of the Fermi surface at the Peierls...
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Integrating Art into Places in Transition - Rose Kennedy Greenway in Boston as a Case Study
PublicationAmong the many projects realized in public spaces, some are truly unique – and these are the ones that build the identity of a place. The aim of this paper is to examine how integrating art and cultural strategies into public space can enhance and reinforce the sense of a place. Particular attention is devoted to urban spaces that we call “places in transition”, where public art improves the city’s imaginative capacity, enlivens...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Experimental study on the feasibility of alternative materials for tilting pad thrust bearings operating in transition to mixed friction
PublicationIn hydrodynamic bearings traditional bearing alloys: Babbitts and bronzes are most frequently utilized. Polymer sliding layers are sometimes applied as a valuable alternative. Hard diamond-like carbon (DLC) coatings, which are also considered for certain applications may show some advantages, as well. Although material selection is of secondary importance in a full film lubrication regime it becomes important in mixed friction...
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Studies of Transition States and Societies
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Science and Technology for Energy Transition
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Economics of Transition and Institutional Change
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Global Development and International Order Transition
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ECONOMICS OF TRANSITION
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Effect of isovalent substitution on microstructure and phase transition of LaNb1−xMxO4 (M=Sb, V or Ta; x=0.05–0.3)
PublicationLaNb1−xMxO4 oxides with pentavalent elements of different ionic sizes (M=Sb, Ta and V, x=0.05–0.3) were synthesized by the solid state reaction method. Special interest was devoted to the antimony substituted lanthanum niobate which is a new material in this group. Rietveld analysis of the X-ray diffraction patterns was used to determine the influence of the material composition on unit cell parameters. On the basis of dilatometric...
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Excitation energy transfer in partly ordered polymer films differing in donor and acceptor transition moments orientation
PublicationBased on spectroscopic measurements selected properties of nonradiative Förster energy transport are studied in uniaxially stretched polyvinyl alcohol thin films for three systems differing in donor and acceptor transition moments orientation relative to the axis of stretching. In particular, donor – acceptor emission anisotropy spectra yield completely different regularities for these systems in uniaxially stretched films, whereas...
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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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Fluidic low-frequency oscillator with vortex spin-up time delay
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A constitutive law for concrete with smooth transition from continuous into discontinuous cracks’ description
PublicationPaper presents a constitutive model for concrete that combines a continuous and discontinuous crack’s description to simulate the concrete under tensile dominated loads. In a continuum regime, two different constitutive laws were used. First, a plasticity model with the Rankine failure criterion and an associated flow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. Both model alternatives...
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Innovative Urban Blue Space Design in a Changing Climate: Transition Models in the Baltic Sea Region
PublicationWaterfront areas in cities are subject to constant changes. The desire to integrate the transformed waterside areas with the urban fabric involves shaping high-quality public spaces related to water, which are often referred to as urban blue spaces (UBS). The aim of the research was to examine the transformation processes of urban waterfront areas in the Baltic Sea Region and identify emerging transition models and types of blue...
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NbIr 2 B 2 and TaIr 2 B 2 – New Low Symmetry Noncentrosymmetric Superconductors with Strong Spin–Orbit Coupling
PublicationSuperconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr2B2...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Lean, Value Stream, Operational Excellence and transition to Business Excellence by Mark Andrew Galanter
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Mathematical modeling and prediction of pit to crack transition under cyclic thermal load using artificial neural network
PublicationThe formation of pitting is a major problem in most metals, which is caused by extremely localized corrosion that creates small holes in metal and subsequently, it changes into cracks under mechanical load, thermo-mechanical stress, and corrosion process factors. This research aims to study pit to crack transition phenomenon of steel boiler heat tubes under cyclic thermal load, and mathematical modeling...
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Impact of a CPRMeter feedback device on chest compression quality performer by nurses: A randomized crossover study
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Improving Social Justice, Environmental Integrity, and Geopolitical Resilience in EU Electric Mobility Transition
PublicationWe recommend improving social justice, environmental integrity, and geopolitical resilience in electric mobility transition. To achieve this policy recommendation, we propose the following: (1) Increase societal acceptance and justice of climate policies by engaging local stakeholders; (2) Prioritize sustainable mobility practices over replacement of internal combustion engine vehicle (ICEV) with battery electric vehicle (BEV);...
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Insulator to correlated metal transition inV1−xMoxO2
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Magnetic and structural phase transition in Ni50Mn35.5In14.5 ribbon
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Quasiharmonic approach to a second-order phase transition
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Phonon Mechanism of the Magnetostructural Phase Transition in MnAs
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Dynamics of Railway Vehicles Movement on Transition Curves
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Insulator to correlated metal transition in V1−xMoxO2
PublicationDyskutowane jest przejście typu izolatro - metal w domieszkowanym atomami Molibdenu związku V1-xMoxO2. Prezentowany jest diagram fazowy.
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Comparison of two intravascular access techniques when using CBRN-PPE: A randomized crossover manikin trial
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Blind intubation via iGEL laryngeal mask performed by novice physicians: A randomized, crossover, manikin trial
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Applications of spin coating of polymer precursor and slurrysuspensions for Solid Oxide Fuel Cell fabrication
PublicationW pracy przedstawiono możliwości zastosowania w tlenkowych ogniwach paliwowych metody nanoszenia wirowego prekursorów polimerowych i zawiesin. Przedstawiono przykłady zastosowania tej metody do wytworzenia elektrolitu oraz warstw ochronnych dla stali nierdzewnych.
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The Analysis of Hyperfine Shifts of Mono-Ligand High-Spin Cobalt(II) Pyrazolylborate Complexes
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Structural Disorder in High-Spin {CoII9WV6} (Core)-[Pyridine N-Oxides] (Shell) Architectures
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Spectral profiling of radicals in polymer degradation based on electron spin resonance imaging (ESRI)
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English Literature in Transition, 1880-1920
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Career Development and Transition for Exceptional Individuals
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International Journal of Emerging and Transition Economies
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High pressure effect on charge transfer transition in Y2O2S:Eu3+
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Energy Transition in Poland—Assessment of the Renewable Energy Sector
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The first order phase transition and superconductivity in BaNi2As2single crystals
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Possible singlet-to-triplet pairing transition inNaxCoO2·yH2O
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Induction of Epithelial-mesenchymal Transition in MDCK II Cells
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Possible singlet-to-triplet pairing transition in Na_xCoO_2 * yH_2O
PublicationW pracy przedstawiono dokładne pomiary górnego pola krytycznego (H_c2) w niedawno odkrytym nadprzewodniku Na_xCoO_2 * yH_2O. Zauważono niezwykłe zachowanie pola krytycznego w funkcji temperatury. W celu wyjaśnienie zjawiska rozwiązano równania Gorkova dla sieci trójkątnej. Eksperymentalny wynik może być interpretowany jako przejście singlet - tryplet wywołane polem magnetycznym.
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CIVILIZING THE PUBLIC PARTICIPATION PRACTICE IN POST-TRANSITION COUNTRIES
PublicationThe phenomenon of public participation is not so new to both planning theory and practice. In fact, involving local community in the decision-making process regarding local urban development directions is widely discussed and a number of various forms of these are being introduced. This paper deals with a number of
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...