Search results for "CONSTANT"

Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations

2018

This study has been carried out within the framework of the EUROfusion Consortium and has been provided funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The authors are indebted to E.A. Kotomin, A.I. Popov and R. Vila for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Calculations have been performed using both the Marconi supercomputer system at the Computational Simulation Centre (Italy) and the Computer Center of St. Petersburg State University.

Homeomorphic graph manifolds: A contribution to the μ constant problem

1999

Abstract We give a characterization, in terms of homological data in covering spaces, of those maps between (3-dimensional) graph manifolds which are homotopic to homeomorphisms. As an application we give a condition on a cobordism between graph manifolds that guarantees that they are homeomorphic. This in turn is applied to give a partial result on the μ -constant problem in (complex) dimension three.

2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range

2021

This research was funded by the M-ERA.NET project ?Multiscale computer modelling, synthesis and rational design of photo(electro)catalysts for efficient visible-light-driven seawater splitting? (CatWatSplit). Institute of Solid State Physics, University of Latvia as the Center of Excel-lence has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.

The Dunkl–Williams constant, convexity, smoothness and normal structure

2008

Abstract In this paper we exhibit some connections between the Dunkl–Williams constant and some other well-known constants and notions. We establish bounds for the Dunkl–Williams constant that explain and quantify a characterization of uniformly nonsquare Banach spaces in terms of the Dunkl–Williams constant given by M. Baronti and P.L. Papini. We also study the relationship between Dunkl–Williams constant, the fixed point property for nonexpansive mappings and normal structure.

Über die Elementarreaktionen der radikalischen Polymerisation von Benzylmethacrylat

1973

Durch Kombination stationarer und instationarer Methodik (rotierender Sektor) werden die Absolutwerte der Geschwindigkeitskonstanten von Kettenwachstum und Kettenabbruch von Benzylmethacrylat unter dem Einflus verschieden viskoser Losungsmittel bestimmt. Die Radikalausbeute f hangt von der Viskositat des Losungssystems und der Art der Monomeren, dagegen nicht (oder fast nicht) von der Konzentration des Monomeren und der Geschwindigkeit der Radikalerzeugung ab. Daraus wird geschlossen, das ein merklicher Anteil von Zwillingsrekombinationen auserhalb des primaren Losungsmittelkafigs stattfindet. Die Geschwindigkeitskonstante kw des Kettenwachstums stimmt praktisch uberein mit der des Methylme…

Correction to "Probing the Accuracy of Explicit Solvent Constant pH Molecular Dynamics Simulations for Peptides".

2020

Untersuchung des Solvatationsgleichgewichts im ternären system Tetrachlormethan/Polymethylmethacrylat/Benzol durch kernmagnetische relaxation

1971

Im ternaren System CCl4/Polymethacrylate(PMMA)/Benzol tritt praferentielle Solvatation auf, Benzol ist in der Solvathulle des Polymeren angereichert. Es genugt eine Solvatationsgleichgewichtskonstante, um die praferentielle Solvatation bei variablen Konzentrationsverhaltnissen zu beschreiben. Gemessen wurde die Kernmagnetische Relaxationszeit T1 von Benzol in Abhangigkeit von der Polymerkonzentration. Der Vergleich mit analogen Messungen im System C6D6/PMMA/C6H6 ergibt fur die Solvatationsgleichgewichtskonstante K = (c32 · c10)/(c12 · c30) = 2,5 ± 0,5. Hierbei bedeuten: c10 die CCl4-Konzentrationen im „freien” Losungsmittel, c30 die Benzolkonzentrationen im „freien” Losungsmittel, c12 und c…

The kinetics of anionic polymerization of styrene in 1,2-dimethoxiethane

2007

Kinetic measurements in a flow apparatus in combination with conductance measurements, permit the determination of the two equilibrium constants Kes and Kdiss* and the three propagation rate constants k(±)c, k(±)s and k(−) as a function of temperature. The great differences in the polymerization rate in various solvents are mainly caused by their influence on the equilibrium constants. The influence of the solvent on the rate constants is not greater than in other chemical reactions.

NMR relaxation and solvation equilibrium in the ternary system CCl4-polymethylmethacrylate-benzene

2007

In the ternary system CCl4-PMMA-benzene, benzene is preferentially adsorbed in the solvation shell of the polymer. One solvation equilibrium constant allows a satisfactory description of the preferential solvation for a large range of solvent compositions. The nuclear magnetic relaxation time T1 of benzene protons was measured for different values of the polymer concentration. The measurements are compared with analogous measurements in the system C6D6-PMMA-C6H6 where no preferential solvation is to be expected. For the system CCl4-PMMA-benzene the resulting dimensionless solvation equilibrium constant is K = c32c10/c12c30 = 2.5 ± 0.5 where c10 is the CCl4 concentration in the “free” solven…

Interaction of UO2(2+) with ATP in aqueous ionic media.

2005

Interaction of dioxouranium(VI) (uranyl) ion with ATP was studied by ligand/proton and metal/hydroxide displacement technique, at very low ionic strength and at I=0.15 mol L(-1), in aqueous Me4NCl and NaCl solutions, at t=25 degrees C. Measurements were carried out in the pH range 3-8.5, before the formation of precipitate. Computer analysis allowed us to find the quite stable species UO2(ATP)H2(0), UO2(ATP)H-, UO2(ATP)2-, UO2(ATP)2(6-), UO2(ATP)2H2(4-) and UO2(ATP)(OH)3- whose formation constants are (at I=0 mol L(-1)) logbeta(112)=18.21, logbeta(111)=14.70, logbeta(110)=9.14, logbeta(120)=12.84, logbeta(122)=24.82, and logbeta(11-1)=2.09, respectively. Different values were obtained in th…