Atomic Vibrational Dynamics of Thin Films Studied by Nuclear Resonant Inelastic X-Ray Scattering: Amorphous Tb1−x Fe x Alloys

Hyperfine Interactions - Nuclear resonant inelastic X-ray scattering (NRIXS) of 14.4125 keV synchrotron radiation was used to measure directly the partial vibrational density of states (VDOS),...     

Many-body effects in hyperfine interactions in <Superscript>205</Superscript>Pb<Superscript>+</Superscript>

Ab initio calculations have been carried out to study the magnetic dipole and electric quadrupole hyperfine structure constants of ²⁰⁵Pb⁺. Many-body effects have been considered to all orders using the relativistic coupled-cluster theory in the singles, doubles and partial triples approximation. The trends of these effects are found to be different from atomic systems that have been studied earlier.     

Palladium(II)‐Catalyzed meta‐CH Olefination: Constructing Multisubstituted Arenes through Homo‐Diolefination and Sequential Hetero‐Diolefination

Divinylbenzene derivatives represent an important class of molecular building blocks in organic chemistry and materials science. Reported herein is the palladium‐catalyzed synthesis of divinylbenzenes by meta‐C? H olefination of sulfone‐based arenes. Successful sequential olefinations in a position‐selective manner provided a novel route for the synthesis of hetero‐dialkenylated products, which are difficult to access using conventional methods. Additionally, 1,3,5‐trialkenylated compounds can be generated upon successful removal of the directing group.     

Tetrazolo[1,5‐a]quinoline‐4‐carbaldehyde and its Schiff base on mild steel as corrosion inhibitor in 1 M HCl solution: electrochemistry,theoretical and SEM surface analysis

The corrosion inhibition impact of two quinoline derivatives, viz tetrazolo [1,5‐a] quinoline‐4‐carbaldehyde ( TQC ) and (Z) ?5‐methyl‐N‐(tetrazolo [1,5‐a] quinolin‐4‐ylmethylene) thiazol‐2‐amine ( MTQT ), has been examined against mild steel in 1 M HCl solution using conventional weight loss, potentiodynamic polarization, linear polarization, electrochemical impedance spectroscopy, quantum chemical, and scanning electron microscopic studies. The experimental results have showed that TQC and MTQT revealed a good corrosion inhibition and that the inhibition efficiency increases with the increase of concentration of inhibitor to attain 94.54% for TQC and 99.25% for MTQT at 25 ppm. Polarization measurements suggest that TQC and MTQT act as a mixed‐type inhibitor. A synergism between inhibitors can be observed by polarization measurements. Electrochemical impedance spectroscopy measurements show an increase of the transfer resistance with the inhibitor concentration. Adsorption of TQC and MTQT on the mild steel surfaces in 1 N HCl solution follows the Langmuir adsorption isotherm model. Furthermore, quantum chemical calculations have been conducted using B3LYP functional and 6‐31G(d,p) basis set to complement the experimental evidences. Copyright © 2015 John Wiley & Sons, Ltd.     

On the Lipschitz continuity of certain quasiregular mappings between smooth Jordan domains

We first investigate the Lipschitz continuity of (K,K’)-quasiregular C ² mappings between two Jordan domains with smooth boundaries, satisfying certain partial differential inequalities concerning Laplacian. Then two applications of the obtained result are given: As a direct consequence, we get the Lipschitz continuity of ρ-harmonic (K,K’)-quasiregular mappings, and as the other application, we study the Lipschitz continuity of (K,K’)- quasiconformal self-mappings of the unit disk, which are the solutions of the Poisson equation Δw = g. These results generalize and extend several recently obtained results by Kalaj, Mateljevi? and Pavlovi?.     

A new method for exact solutions of variant types of time‐fractional Korteweg‐de Vries equations in shallow water waves

The current article devoted on the new method for finding the exact solutions of some time‐fractional Korteweg–de Vries (KdV) type equations appearing in shallow water waves. We employ the new method here for time‐fractional equations viz. time‐fractional KdV‐Burgers and KdV‐mKdV equations for finding the exact solutions. We use here the fractional complex transform accompanied by properties of local fractional calculus for reduction of fractional partial differential equations to ordinary differential equations. The obtained results are demonstrated by graphs for the new solutions. Copyright © 2016 John Wiley & Sons, Ltd.     

Mechanistic studies on the oxidation of ascorbic acid and hydroquinone by a {Mn4O6}4+ core in aqueous media

Described in this work is the kinetics of oxidation of ascorbic acid and hydroquinone by a tetranuclear Mn(IV) oxidant, [Mn(4)(μ-O)(6)(bipy)(6)](4+) (1(4+), bipy =2,2(/)-bipyridine), in aqueous solution over a wide pH range 1.5-6.0. In particular, below pH 3.0, protonation on the oxo-bridge of 1(4+) results in the formation of [Mn(4)(μ-O)(5)(μ-OH)(bipy)(6)](5+) (1H(5+)) as an additional oxidant over 1(4+). Both ascorbic acid and ascorbate whereas only hydroquinone and none of its protolytic species were found to be reactive reducing agents in these reactions. Analysis of the rate data clearly established that the oxo-bridge protonated oxidant 1H(5+) is kinetically far more superior to 1(4+) in oxidizing ascorbic acid and hydroquinone. Rates of these reactions are substantially lowered in D(2)O-enriched media in comparison to that in H(2)O media. An initial one electron one proton transfer electroprotic rate step could be mechanistically conceived. DFT studies established that among the two sets of terminal and central Mn(IV) atoms in the tetranuclear oxidant, one of the two terminal Mn(IV) is reduced to Mn(III) at the rate step that we can intuitively predict considering the probable positive charge distribution on the Mn(IV) atoms.     

SOME EXACT SOLUTIONS OF 3-DIMENSIONAL ZERO-PRESSURE GAS DYNAMICS SYSTEM

The 3-dimensional zero-pressure gas dynamics system appears in the modeling for the large scale structure formation in the universe. The aim of this paper is to construct spherically symmetric solutions to the system. The radial component of the velocity and density satisfy a simpler one dimensional problem. First we construct explicit solutions of this one dimensional case with initial and boundary conditions. Then we get special radial solutions with different behaviours at the origin.