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Search results for: DIPOLE-BOUND STATES
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Impurity trapped exciton states related to rare earth ions in crystals under high hydrostatic pressure
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Facile and cost-effective technique to control europium oxidation states in glassy fluorophosphate matrices with tunable photoluminescence
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Electron Binding Capabilities of Some Silylenes Having Small Singlet−Triplet Splittings or Triplet Ground States
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Synthesis and antimicrobial activity of truncated fragments and analogs of citropin 1.1: The solution structure of the SDS micelle-bound citropin-like peptides
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Cluster Donation: How Future Healthcare Professionals Bound Certain Types of Tissues and Biomedical Research and How It Affects Their Willingness to Donate
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Lead-stress induced changes in the content of free, thylakoid- and chromatin-bound polyamines, photosynthetic parameters and ultrastructure in greening barley leaves
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Electric and magnetic dipole shielding constans for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla stałych ekranowania elektrycznego i magnetycznego relatywistycznego atomu wodoropodobnego w stanie podstawowym.
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New plasma preparation approach to enrich metabolome coverage in untargeted metabolomics: plasma protein bound hydrophobic metabolite release with proteinase K
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Biomolecular influenza virus detection based on the electrochemical impedance spectroscopy using the nanocrystalline boron-doped diamond electrodes with covalently bound antibodies
PublicationNew rapid pathogen detection methods with improved cost-effectiveness and efficiency are currently in the focus of the scientists from all over the world. Based on the experiences from the rapid spread of the influenza virus pandemic in 2009 it is clear that the development of the system for early diagnosis of this infection is essential. The crucial stage of the treatment is the detection of the viral infection during its initial...
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Central and Eastern European States from an International Perspective: Economic Potential and Paths of Participation in Global Value Chains
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Structural Change in New Member States (1995–2005): Shift–Share Analysis of Productivity Growth and its Determinants
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Structural change in New Member States (1995-2005): shift-share analysis of productivity growth and its determinants
PublicationThe chapter focuses on the latest developments in ten New MemberStates (presented vis-à-vis EU-15countries), seen from the perspective of structural change and quality upgrading of their economic structures. In particular, recently released disaggregated labor statistics are used,allowing to analyse the process of labor reallocation and productivitychanges associated with inter-and intra-industrystructural change. Since the mid-1990s...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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NMR studies of new arginine vasopressin analogs modified with α-2-indanylglycine enantiomers at position 2 bound to sodium dodecyl sulfate micelles
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An Excess Electron Bound to Magnesium Halides and Basic Grignard Compounds (RMgX and RMgR, R = Me, Et, Ph; X = F, Cl, Br)
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On Raman optical activity sign-switching between the ground and excited states leading to an unusual resonance ROA induced chirality
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ICT technologies and financial innovations: The case of exchange traded funds in Brazil, Japan, Mexico, South Korea and the United States
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Textural Characteristics of Resorcinol—Formaldehyde Resin and Temperature Behavior of Bound Water Affected by Co-Adsorbed Trifluoroacetic Acid or Pyridine in Weakly Polar Organic Media
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Analysis and assessment of the acoustic emission suitability for determination of the energy states of a tribological system in the form of a four-ball tester friction node
PublicationThe present operating safety and cost reduction requirements of the compression ignition engines make it necessary to search for new methods of detecting their defects, e.g. by the analysis of acoustic emission signals coming from the slide bearings. The paper presents non-destructive measurements of acoustic emission (AE) in order to obtain information on the processes taking place in a tribological system under the continuously...
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Charge transfer and europium trapped exciton states in Eu<sup>3+</sup>/Eu<sup>2+</sup> doped phosphors
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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China-Russia Bilateral Security and Military Partnership in Changing World Order: Security Challenges for the United States of America in Asia and Beyond
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A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state
PublicationPrzedmiotem studiów jest chemia koordynacyjna solwatów jonów wanadu(III), oksowanadu(IV) jaki i dioksowanadu(V) w rozpuszczalnikach tlenowo-donorowych takich jak: woda, dimetylosulfotlenek (DMSO) oraz N,N'-dimetylopropylenomocznik (DMPU). Badania prowadzone były w roztworach ciekłych jak i w fazie stałej z wykorzystaniem absorpcji (EXAFS), rozproszenia (LAXS) jak i dyfrakcji promieniowania X. Analiza uzyskanych wyników wskazuje,...
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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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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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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine: Influence on Receptor-Bound Conformations and Interactions with Vasopressin and Oxytocin Receptors
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Results from a collective bound case studies analysis of researched Pol‐ ish metropolises for inspecting information management regarding air quality in light of information ecology
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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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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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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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AOP173 key event associated pathway predictor – online application for the prediction of benchmark dose lower bound (BMDLs) of a transcriptomic pathway involved in MWCNTs-induced lung fibrosis
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Conformational solution studies of the SDS micelle-bound 11-28 fragment of two Alzheimer's β-amyloid variants (E22K and A21G) using CD, NMR, and MD techniques
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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane–aqueous system
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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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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublicationEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Eksploatacyjne obciążenia śrub napędowych pogłębiarek różnych typów w podstawowych stanach ich eksploatacji = Operational loads of propellers of different dredgers types in main service states
PublicationArtykuł przedstawia wyniki badań eksploatacyjnych dotyczących jednego z najważniejszych odbiorników energii mechanicznej na pogłębiarkach: śrub napędowych. Badania eksploatacyjne obejmowały pomiary parametrów charakteryzujących obciążenia śrub napędowych pogłębiarek w dwóch podstawowych stanach ich eksploatacji: roboty pogłębiarskie i pływanie swobodne. Przedstawione w pracy wyniki obejmują 10 pogłębiarek (8 pogłębiarek ssących...
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Poprawa nośności platform roboczych
PublicationW artykule przedstawiono zagadnienia związanie z zastosowaniem geosyntetyków oraz materiałów wiązanych hydraulicznie (HBM) do stabilizacji platform roboczych pod ciężki sprzęt budowlany.
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Revisiting Toroidal Dipolar Moment in Planar Metamaterial
PublicationThis article revisits the electric, magnetic, and toroidal dipolar moments in the metamaterial structure and presents the flatland design for generating a toroidal dipolar response for the electromagnetic plane wave at normal incidence. Based on the numerical analysis of the surface current, the electric field, the magnetic field, and the quantitative analysis of scattered power supported by the electromagnetic multipole theory,...
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The method of location and identification of weak electric field source in seawater
PublicationThe paper presents the method and measurement system that allows to lacate the detected object and to identify parameters of its simplified model in form of a current dipole.
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublicationThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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The paired-domination and the upper paired-domination numbers of graphs
PublicationIn this paper we obtain the upper bound for the upper paired-domination number and we determine the extremal graphs achieving this bound. Moreover we determine the upper paired- domination number for cycles.
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On the Equations of the Surface Elasticity Model Based on the Theory of Polymeric Brushes
PublicationMotivating by theory of polymers, in particular, by the models of polymeric brushes we present here the homogenized (continual) two-dimensional (2D) model of surface elasticity. A polymeric brush consists of an system of almost aligned rigid polymeric chains. The interaction between chain links are described through Stockmayer potential, which take into account also dipole-dipole interactions. The presented 2D model can be treated...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublicationInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Positron binding to alkali-metal hydrides: The role of molecular vibrations
PublicationThe bound vibrational levels for J=0 have been computed for the series of alkali-metal hydride molecules from LiH to RbH, including NaH and KH. For all four molecules the corresponding potential-energy curves have been obtained for each isolated species and for its positron-bound complex (e+XH). It is found that the calculated positron affinity values strongly depend on the molecular vibrational state for which they are obtained...