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1.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
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A simple scheme is developed for treatment of vertical bed topography in shallow water flows. The effect of the vertical step on flows is modelled with the shallow water equations including local energy loss terms. The bed elevation is denoted with zb‐ for the left and zb+ for the right values at each grid point, hence exactly representing a discontinuity in the bed topography. The surface gradient method (SGM) is generalized to reconstruct water depths at cell interfaces involving a vertical step so that the fluxes at the cell interfaces can accurately be calculated with a Riemann solver. The scheme is verified by predicting a surge crossing a step, a tidal flow over a step and dam‐break flows on wet/dry beds. The results have shown good agreements compared with analytical solutions and available experimental data. The scheme is efficient, robust, and may be used for practical flow calculations. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
5.
Michael R. Caputo 《Natural Resource Modeling》1989,3(2):241-259
This paper analyzes the extent to which standard dynamic renewable resource models possess refutable implications. Both the steady state comparative static and local comparative dynamic properties of the standard model are studied. A unified framework is developed which enables one to analyze the qualitative properties of any standard renewable resource model. This is achieved by explicitly linking the local stability, steady state comparative static, and local comparative dynamic properties of the model. 相似文献
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It is proved that the variety of relevant disjunction lattices has the finite embeddability property. It follows that Avron's relevance logic RMI min has a strong form of the finite model property, so it has a solvable deducibility problem. This strengthens Avron's result that RMI min is decidable. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
8.
G. E. Volovik 《JETP Letters》2002,76(5):240-244
An analogue of a black hole can be realized in the low-temperature laboratory. The horizon can be constructed for “relativistic” ripplons (surface waves) living on the brane. The brane is represented by the interface between two superfluid liquids, 3He-A and 3He-B, sliding along each other without friction. A similar experimental arrangement was recently used for the observation and investigation of the Kelvin-Helmholtz type of instability in superfluids [1]. The shear-flow instability in superfluids is characterized by two critical velocities. The lowest threshold measured in recent experiments [1] corresponds to the appearance of the ergoregion for ripplons. In the modified geometry, this will give rise to the black-hole event horizon in the effective metric experienced by ripplons. In the region behind the horizon, the brane vacuum is unstable due to interaction with the higher-dimensional world of bulk superfluids. The time of the development of instability can be made very long at low temperature. This will allow us to reach and investigate the second critical velocity—the proper Kelvin-Helmholtz instability threshold. The latter corresponds to the singularity inside the black hole, where the determinant of the effective metric becomes infinite. 相似文献
9.
D. N. Karimov E. A. Krivandina Z. I. Zhmurova B. P. Sobolev V. A. Bezhanov S. P. Chernov G. M. Shapochkin 《Crystallography Reports》2006,51(6):1009-1015
Crystalline materials that are transparent in the vacuum UV spectral region and currently used have been reviewed. Transmission of crystals of solid solutions with the fluorite structure Ca1?x R xF2+x (R = Sc, Y, La, Yb, Lu) in the UV and vacuum UV spectral regions has been investigated. It is shown that application of different methods of purification of fluorides from some impurities can significantly improve the optical quality of fluoride multicomponent crystals in the short-wavelength spectral region. 相似文献
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