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101.
Sarkar M Aromí G Cano J Bertolasi V Ray D 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(46):13825-13833
A high-spin Co(II) cluster with a rare pentagonal molecular structure and formula [Co(5)(CO(3))(2)(bpp)(5)]ClO(4) (1; Hbpp is 2,6-bis(phenyliminomethyl)-4-methylphenolate) has been synthesized and characterized by single-crystal X-ray diffraction. This topology arises from fusing five [Co(2)(bpp)] moieties in a cyclic manner around two CO(3)(2-) central ligands, resulting in propeller-like configuration. The irregular coordination of the carbonate ions to the metal centers results in a combination of coordination numbers (CNs) of the Co(II) ions of five and six. The bulk magnetization of this complicated magnetically exchanged system has been modeled successfully by employing a matrix diagonalization technique. For this, the combination of S=3/2 ions (CN=5) with ions exhibiting strong spin-orbit coupling (CN=6) has been considered and a perturbative approach to handle the data in the whole studied range of temperatures (2-300 K) yielding parameters of g and D (for the five-coordinate Co(II) ions), of A, κ, λ, and Δ (for the metals with spin-orbit coupling) and of the exchange constants J. The agreement with results from DFT calculations, also presented here, is remarkable. 相似文献
102.
103.
利用闭合轨道理论,研究了氢负离子在金属面和弹性界面组成的微腔中的光剥离截面.结果表明,微腔的上下表面对氢负离子的光剥离截面产生很大影响.若固定金属面与氢负离子之间的距离不变,当弹性界面与氢负离子之间的距离很大时,弹性界面对氢负离子光剥离截面的影响很小,光剥离截面的振荡幅度和振荡频率与只有金属面时的情况类似.随着弹性界面和氢负离子之间距离的不断减小,光剥离截面的振荡幅度增大,振荡频率减小.若保持氢负离子和弹性界面之间的距离不变,随着金属面和氢负离子之间距离d0的不断增大,
关键词:
光剥离截面
闭合轨道理论
微腔 相似文献
104.
利用闭合轨道理论和金属面附近氢负离子的双脉冲光剥离截面的计算公式,计算了氢负离子在金属面附近激光脉冲作用下的光剥离截面.计算结果表明:如果脉冲宽度远大于闭合轨道的回归周期时,它对光剥离截面的影响很小;当脉冲宽度小于闭合轨道的周期或者可以和闭合轨道的周期相比较时,光剥离截面的振荡幅度大大地减弱.光剥离截面除了与脉冲宽度有关外,还与双脉冲之间的时间延迟、相位差有关.对于某些相位差, 双脉冲光剥离截面的取值增大; 而对于另外一些相位差, 光剥离截面的取值减小.因此,可以利用脉冲激光来控制氢负离子在表面附近光剥离
关键词:
激光脉冲
光剥离截面
金属面
闭合轨道理论 相似文献
105.
We present two continuous symmetry reduction methods for reducing high-dimensional dissipative flows to local return maps. In the Hilbert polynomial basis approach, the equivariant dynamics is rewritten in terms of invariant coordinates. In the method of moving frames (or method of slices) the state space is sliced locally in such a way that each group orbit of symmetry-equivalent points is represented by a single point. In either approach, numerical computations can be performed in the original state space representation, and the solutions are then projected onto the symmetry-reduced state space. The two methods are illustrated by reduction of the complex Lorenz system, a five-dimensional dissipative flow with rotational symmetry. While the Hilbert polynomial basis approach appears unfeasible for high-dimensional flows, symmetry reduction by the method of moving frames offers hope. 相似文献
106.
Various compact difference schemes (both old and new, explicit and implicit, one-level and two-level), which approximate the diffusion equation and SchrSdinger equation with periodical boundary conditions are constructed by means of the general approach. The results of numerical experiments for various initial data and right hand side are presented. We evaluate the real order of their convergence, as well as their stability, effectiveness, and various kinds of monotony. The optimal Courant number depends on the number of grid knots and on the smoothness of solutions. The competition of various schemes should be organized for the fixed number of arithmetic operations, which are necessary for numerical integration of a given Cauchy problem. This approach to the construction of compact schemes can be developed for numerical solution of various problems of mathematical physics. 相似文献
107.
Space required for the order picking area and labor required to perform the picking activity are two significant costs for a distribution center (DC). Traditionally, DCs employ either entirely wide or entirely narrow aisles in their picking systems. Wide aisles allow pickers to pass each other, which reduces blocking, and requires fewer pickers than their narrow-aisle counterpart for the same throughput. However, the amount of space required for wide-aisle configurations is high. Narrow aisles utilize less space than wide aisles, but are less efficient because of the increased likelihood of congestion experienced by pickers. We propose a variation to the traditional orthogonal aisle designs where both wide and narrow aisles are mixed within the configuration, with a view that mixed-width aisles may provide a compromise between space and labor. To analyze these new mixed-width aisle configurations, we develop analytical models for space and travel time considering randomized storage and traversal routing policies. Through a cost-based optimization model, we identify system parameters for which mixed-width aisle configurations are optimal. Experimental results indicate that annual cost savings of up to $48,000 can be realized over systems with pure wide or narrow aisle configurations. 相似文献
108.
In this paper, a family of interpolation neural network operators are introduced. Here, ramp functions as well as sigmoidal functions generated by central B-splines are considered as activation functions. The interpolation properties of these operators are proved, together with a uniform approximation theorem with order, for continuous functions defined on bounded intervals. The relations with the theory of neural networks and with the theory of the generalized sampling operators are discussed. 相似文献
109.
110.
XU Yan-cong GENG Feng-jie 《高校应用数学学报(英文版)》2014,29(1):108-118
In this paper, the complicated dynamics is studied near a double homoclinic loops with bellows configuration for general systems. For the non-twisted multiple homoclinics, the existence of periodic orbit with the specified route and the existence of shift-invariant curve sequences defined on the cross sections of multiple homoclinics corresponding to any specified one-side infinite sequences are given. In addition, the existence regions are also located. 相似文献