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41.
本文通过引入压缩映象集序列的概念,推广并综合了张石生以及V.M.Sehger和A.T.Bharucha-Reid中某些主要定理的结果。 相似文献
42.
本文选用混杂的B3LYP密度泛函理论方法,在Lanl2dz水平上,对5,15-二(二茂铁基)-卟啉酞菁钇[Por(Fc)2]Y(Pc)的结构进行了优化,结果表明,5,15-二(二茂铁基)-卟啉酞菁钇呈现出三明治型构型,卟啉环与酞菁环呈穹型围绕在金属钇原子周围。对分子内主要的键长与键角进行了理论计算,通过频率计算,得到了5,15-二(二茂铁基)-卟啉酞菁钇[Por(Fc)2]Y(Pc)的红外光谱图,与实验所得的红外光谱图进行比对,将理论计算和实验所得的光谱主要振动峰进行了线性回归拟合,相关系数为0.992,标准偏差为16.96。理论计算与实验所获得的红外光谱图基本一致,说明本文所选用的DFT理论计算方法是可行的。通过GaussView软件对5,15-二(二茂铁基)-卟啉酞菁钇的红外谱带简正振动模式进行了指认。此外,分析讨论了5,15-二(二茂铁基)-卟啉酞菁钇[Por(Fc)2]Y(Pc)的分子静电势,确定了极大值与极小值的位置。对于研究5,15-二(二茂铁基)-卟啉酞菁钇分子的性质,提供了相应的理论基础。 相似文献
43.
44.
Summary We provide a convergence rate analysis for a variant of the domain decomposition method introduced by Gropp and Keyes for solving the algebraic equations that arise from finite element discretization of nonsymmetric and indefinite elliptic problems with Dirichlet boundary conditions in 2. We show that the convergence rate of the preconditioned GMRES method is nearly optimal in the sense that the rate of convergence depends only logarithmically on the mesh size and the number of substructures, if the global coarse mesh is fine enough.This author was supported by the National Science Foundation under contract numbers DCR-8521451 and ECS-8957475, by the IBM Corporation, and by the 3M Company, while in residence at Yale UniversityThis author was supported by the Applied Mathematical Sciences subprogram of the Office of Energy Research, U.S. Department of Energy under Contract W-31-109-Eng-38This author was supported by the National Science Foundation under contract number ECS-8957475, by the IBM Corporation, and by the 3M Company 相似文献
45.
Chemical unfolding of bovine testicular hyaluronidase (HAase) has been studied by fluorescence spectroscopy and Fourier transformed
infrared spectroscopy (FTIR). Thermodynamic parameters were determined for unfolding HAase from changes in the intrinsic fluorescence
emission intensity and the formations of several possible unfolding intermediates have been identified. This was further confirmed
by representation of fluorescence data in terms of ‘phase diagram’. The secondary structures of HAase have been assigned and
semiquantitatively estimated from the FTIR. The occurrence of conformational change during chemical unfolding as judged by
fluorescence and FTIR spectroscopy indicated that the unfolding of HAase may not follow the typical two-state model. 相似文献
46.
A planar lightwave circuit (PLC) add-drop filter is proposed and analyzed, which consists of a symmetric Mach-Zehnder interferometer (MZI) combined with double microring resonators. A critical coupling condition is derived for a better box-like drop spectrum. Comparisons of its characteristics with other schemes,such as a MZI with a single ring resonator, are presented, and some of the issues about device design and fabrication are also discussed. 相似文献
47.
结构动力学方程数值积分的三参数算法 总被引:5,自引:0,他引:5
本文提出计算结构动力响应的三参数单步数值积分法,它具有无条件稳定性质,并具有合适的算法阻尼.通过分析及与其他数值积分法比较,说明本文算法的精度有所提高. 相似文献
48.
49.
We use a semiclassical approximation to study the transport through the weakly open chaotic Sinai quantum billiards which can be considered as the schematic of a Sinai mesoscopic device,with the diffractive scatterings at the lead openings taken into account.The conductance of the ballistic microstructure which displays universal fluctuations due to quantum interference of electrons can be calculated by Landauer formula as a function of the electron Fermi wave number,and the transmission amplitude can be expressed as the sum over all classical paths connecting the entrance and the exit leads.For the Sinai billiards,the path sum leads to an excellent numerical agreement between the peak positions of power spectrum of the transmission amplitude and the corresponding lengths of the classical trajectories,which demonstrates a good agreement between the quantum theory and the semiclassical theory. 相似文献
50.