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Now showing items 1 - 16 of 505034

  • NMR Investigations of Hydrogen Intercalates in GaSe Layered Crystals

    Zhirko, Yu. I.   Kovalyuk, Z. D.   Trachevsky, V. V.   Mel'nik, A. K.  

    The performed investigations of NMR spectra inherent to intercalates in H(X)GaSe crystals at various temperatures, hydrogen concentrations and geometry of external magnetic field B enable us to refine the model of hydrogen introduction to layered crystals and offer a scheme of splitting characterizing the level of H(2) molecules in these crystals under different conditions. It is shown, that in absence of an external magnetic field B molecular ortho-hydrogen as the diamagnetic gas (owing to symmetry of a crystal and nearest nuclear environment) forms in GaSe crystal three spin sub-lattices in which molecular spins located mutually-perpendicularly to each other and form right-hand rectangular system of coordinates. At B = 0 the total projection of two spins inside layer is located against an optical axis C and spin between layers - along axis C. It is offered the scheme of 1D and 3D QW's that is capable to explain localization of hydrogen molecules in layered crystals as well as mechanism of their deintercalation from these crystals with participation of totally symmetrical half-layer lattice A(1)(/1)-vibration taking part in scattering of H(2) molecules and in formation of oscillating parameters of potential barriers.
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  • Mixed complexes of palladium(II) with 1-aminoethylidene-1,1-diphosphonic acid and glycine

    Kozachkova, A. N.   Tsaryk, N. V.   Dudko, A. V.   Pekhnyo, V. I.   Trachevsky, V. V.   Rozhenko, A. B.   Novotortsev, V. M.   Eremenko, I. L.  

    The complexing of palladium(II) with two biological active reagents: glycine (Gly, HA) and 1-aminoethylidene-1,1-diphosphonic acid (AEDP, H4L) at concentrations of chloride ions (0.15 mol/L) corresponding to physiological levels is studied by means of spectrophotometry, pH potentiometry, and P-31 NMR spectroscopy. The formation constants for mixed complexes with compositions of [PdH(2)LA](-) (log beta = 43.7) and [PdHLA](2-) (log beta = 39.05) are determined. The both ligands are found to be coordinated to palladium(II) in a bidentant-cyclic manner: through amine nitrogen and the oxygen atom of the carboxyl group (in the case of Gly), or through the phosphonic group (in the case of AEDP). A diagram of the distribution of equilibrium concentrations of the complexes depending on pH is calculated for the system K-2[PdCl4]: Gly: AEDP = 1: 1: 1. It is demonstrated that there are complexes with compositions of [PdHLA](2-), [PdA(2)], and [Pd(HL)(2)](4-) in solutions with and pH 6-7.
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  • Synthesis and properties of protic hydroxylic ionic liquids with two types of basic centers in their composition

    Shevchenko, V. V.   Gumenna, M. A.   Korolovych, V. F.   Stryutsky, A. V.   Trachevsky, V. V.   Hrebnov, O.   Klepko, V. V.   Klymenko, N. S.   Shumsky, V. F.   Davydenko, V. V.   Ledin, P. A.  

    1-((3-(1H-imidazol-1-yl)propyl)amino)-3-butoxypropan-2-ol with two types of nitrogenous centers and variable basicity was synthesized by reaction of butyl glycidyl ether with 1-(3-aminopropyl)imidazole. Ethanesulfonic acid was used for equimolar and complete neutralization of the obtained compound to produce hydroxylic ionic liquids. N-acetyl derivatives. of the given liquid with ethanesulfonate and acetate counterions were also synthesized. According to H-1 NMR spectroscopy, equimolarly neutralized compounds are characterized by a rapid migration of protons between the basic centers using the mechanisms of intermolecular and intramolecular transfer with a predominance of the latter at higher temperatures. Fully protonated ionic liquids are characterized by a low glass transition temperature (-60.9 degrees C) and a high conductivity 5.45.10(-4)S/cm at 20 degrees C under anhydrous conditions. Notably, there is an absence of determined correlation between the glass transition temperature or conductivity and the value of the viscosity of the ILs. Published by Elsevier B.V.
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  • Structure and Fluorescence Properties of Uranyl Ion Complexes with 3-(2-Hydroxyphenyl)-5-(2-Pyridyl)-1,2,4-Triazole Derivatives

    Vashchenko, O. V.   Khomenko, D. M.   Doroshchuk, R. O.   Severynovska, O. V.   Starova, V. S.   Trachevsky, V. V.   Lampeka, R. D.  

    Structure of three new uranyl complexes with 3-(2-hydroxyphenyl)-5-(2-pyridyl)-1,2,4-triazoles was proposed basing on IR, UV spectroscopy, NMR and MALDI mass spectrometry data analysis. It was shown prospective using of triazoles as analytical reagents for fluorescence determination of uranyl ion.
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  • ASME V\&V Challenge Problem: Surrogate-Based V&V

    Beghini, Lauren L.; Hough, Patricia  

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  • ASME V\\&V Challenge Problem: Surrogate-Based V&V

    Beghini, Lauren L.   Hough, Patricia  

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  • Onderzoeksinfrastructuur V&V

    Vermeulen   Hester  

    Het ministerie van VWS heeft recent ZonMw een aanvullende opdracht van 1 miljoen euro gegeven voor praktijkgericht onderzoek binnen het programma Tussen Weten en Doen II. Dit programma richt zich op het versterken van de onderzoeksinfrastructuur voor verpleging en verzorging.
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  • Onderzoeksinfrastructuur V&V

    Vermeulen, Hester  

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  • DNA computing over the ring Z(4) [v]/< v(2) - v >

    Kumar, Narendra   Singh, Abhay Kumar  

    In this paper, we discuss the DNA construction of general length over the finite ring R = Z(4) + vZ(4), with v(2) = v, which plays a very significant role in DNA computing. We discuss the GC weight of DNA codes over R. Several examples of reversible cyclic codes over R are provided, whose Z(4)-images are Z(4)-linear codes with good parameters.
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  • System Verification and Validation (V&V)

    Brusa, Eugenio   Cala, Ambra   Ferretto, Davide  

    A preliminary overview on the connection between Application Lifecycle Management and Product Lifecycle Management is proposed, by introducing the contents and the strategies of the Verification and Validation activities. The chapter should allow the Reader distinguishing the two activities and even the tools and the goals related. A comparison between the typical approaches applied in Software and Hardware Engineering, respectively, is briefly deployed. A preliminary relation with the RAMS analysis, dealing with Reliability, Availability, Maintainability and Safety, is discussed, especially in the two test cases.
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  • V&V - All the Way Through

    Brown, Dale A.   Johnson, Chamara  

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  • V&V - All the Way Through

    Brown, Dale A.; Johnson, Chamara  

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  • v(4), v(5), v(6), v(7): Nonlinear hydrodynamic response versus LHC data

    Yan, Li   Ollitrault, Jean-Yves  

    Higher harmonics of anisotropic flow (v(n) with n >=3D 4) in heavy-ion collisions can be measured either with respect to their own plane, or with respect to a plane constructed using lower-order harmonics. We explain how such measurements are related to event-plane correlations. We show that CMS data on v(4) and v(6) are compatible with ATLAS data on event-plane correlations. If one assumes that higher harmonics are the superposition of non-linear and linear responses, then the linear and non-linear parts can be isolated under fairly general assumptions. By combining analyses of higher harmonics with analyses of v(2) and v(3), one can eliminate the uncertainty from initial conditions and define quantities that only involve nonlinear hydrodynamic response coefficients. Experimental data on v(4), v(5) and v(6) are in good agreement with hydrodynamic calculations. We argue that v(7) can be measured with respect to elliptic and triangular flow. We present predictions for v(7) versus centrality in Pb-Pb collisions at the LHC. (C) 2015 The Authors. Published by Elsevier B.V.
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  • V. V. Zhikov (1940–2017)

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  • Heavy Quark Dynamics toward thermalization: R-AA, v(1), v(2), v(3)

    Plumari, Salvatore   Das, Santosh K.   Scardina, Francesco   Minissale, Vincenzo   Greco, Vincenzo  

    We describe the propagation of Heavy quarks (HQs) in the quark-gluon plasma (QGP) within a relativistic Boltzmann transport (RBT) approach. The interaction between heavy quarks and light quarks is described within quasi-particle approach which is able to catch the main features of non-perturbative interaction as the increasing of the interaction in the region of low temperature near T-C. In our calculations the hadronization of charm quarks in D mesons is described by mean of an hybrid model of coalescence plus fragmentation. We show that the coalescence play a key role to get a good description of the experimental data for the nuclear suppression factor R-AA and the elliptic flow v(2)(p(T)) at both RHIC and LHC energies. Moreover, we show some recent results on the direct flow v(1) and triangular flow v(3) of D meson.
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