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61.
The effect of an external electric field on the magnetic anisotropy of a single‐molecule magnet has been investigated, for the first time, with the help of DFT. The application of an electric field can alter the magnetic anisotropy from “easy‐plane” to “easy‐axis” type. Excitation analysis performed through time‐dependent DFT predicts that the external electric field facilitates metal to π‐acceptor ligand charge transfer, leading to uniaxial magnetic anisotropy and concomitant spin Hall effect in a single molecule.  相似文献   
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Chromium is an important industrial metal used in various products/processes. Remediation of Cr contaminated sites present both technological and economic challenges, as conventional methods are often too expensive and difficult to operate. In the present investigation, Zero-valent iron (Fe0) nanoparticles were synthesized, characterized, and were tested for removal of Cr(VI) from the soil spiked with Cr(VI). Fe0 nanoparticles were synthesized by the reduction of ferric chloride with sodium borohydride and were characterized by UV–Vis (Ultra violet–Visible) and FTIR (Fourier transform infrared) spectroscopy. The UV–Vis spectrum of Fe0 nanoparticles suspended in 0.8% Carboxymethyl cellulose showed its absorption maxima at 235 nm. The presence of one band at 3,421 cm−1 ascribed to OH stretching vibration and the second at 1,641 cm−1 to OH bending vibration of surface-adsorbed water indicates the formation of ferrioxyhydroxide (FeOOH) layer on Fe0 nanoparticles. The mean crystalline dimension of Fe0 nanoparticles calculated by XRD (X-ray diffraction) using Scherer equation was 15.9 nm. Average size of Fe0 nanoparticles calculated from TEM (Transmission electron microscopy) images was found around 26 nm. Dynamic Light Scattering (DLS) also showed approximately the same size. Batch experiments were performed using various concentration of Fe0 nanoparticles for reduction of soil spiked with 100 mg kg−1 Cr(VI). The reduction potential of Fe0 nanoparticles at a concentration of 0.27 g L−1 was found to be 100% in 3 h. Reaction kinetics revealed a pseudo-first order kinetics. Factors like pH, contact time, stabilizer, and humic acid facilitates the reduction of Cr(VI).  相似文献   
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A chaotic attractor is usually characterised by its multifractal spectrum which gives a geometric measure of its complexity. Here we present a characterisation using a minimal set of independent parameters which is uniquely determined by the underlying process that generates the attractor. The method maps the f(α) spectrum of a chaotic attractor on to that of a general two scale Cantor measure. We show that the mapping can be done in practice with reasonable accuracy for many of the standard chaotic attractors. In order to implement this procedure, we also propose a generalisation of the standard equations for the two scale Cantor set in one dimension to that in higher dimensions. Another interesting result we have obtained both theoretically and numerically is that, the f(α) characterisation gives information only up to two scales, even when the underlying process generating the multifractal involves more than two scales.  相似文献   
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The resolution of racemic coumarinyl amino alcohols 510 was achieved by using the inexpensive and readily accessible chiral resolving agent N-carbethoxy-l-proline (S)-11. Direct esterification of rac-510 with (S)-11 furnished diastereomeric esters, which were easily separated by column chromatography. The obtained diastereomers yielded the desired enantiopure coumarinyl amino alcohols (S)-(+)-510 and (R)-(?)-510 in good yields with high enantiomeric excess on saponification. The absolute configurations were determined by X-ray crystal analysis and/or by comparison of the specific rotations. Furthermore, in in vitro antifilarial motility inhibition assays, enantiopure coumarins (S)-(+)-9, (R)-(?)-9 and (S)-(+)-10, (R)-(?)-10 were found to be less efficient in affecting the viability of macrofilariae of Brugia malayi than their racemic forms 9 and 10, respectively, indicating the synergistic effect of the enantiomers in evoking antifilarial action.  相似文献   
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We have used a scanning tunneling microscope to demonstrate that a single CuO2 plane can form a stable and atomically ordered layer at the surface of Bi(2)Sr(2)CaCu(2)O(8+delta). In contrast to previous studies on high-T(c) surfaces, the CuO2-terminated surface exhibits a strongly suppressed tunneling conductance at low voltages. We consider a number of different explanations for this phenomena and propose that it may be caused by how the orbital symmetry of the CuO2 plane's electronic states affects the tunneling process.  相似文献   
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The field equations of general relativity with electromagnetic stress tensor and zeromass scalar meson field are investigated. The metric coefficients are assumed to be functions of three variables only. It is then shown that, if one assumes a functional relation between some one of the metric coefficients and the electromagnetic potentials, that one can find a solution of the coupled Einstein-Maxwell equations in terms of a solution of the Einstein equations with zeromass scalar meson field as source.  相似文献   
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