Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of the silicon atom for SiH _n F_4−n and SiH _n F _5−n ¹⁻ . The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft nucleophiles preferably react with SiH _n F _5−n ¹⁻ , and hard nucleophiles with SiH _n F_4−n .     

近场光学显微技术

本文在介绍近场光学显微镜原理的基础上，对近场光学显微技术进行了一定深度的探讨，并着重研究了纳米级探针的制作和纳米级样品与探针间距的控制这两个近场光学显微技术中的关键问题，说明了近场光学显微探针的工作方式，阐述了近场光学成像的衬度类型，介绍了近场光学显微技术在多个领域的应用。在参考大量国内外最新研究成果的基础上，提出了一些个人的见解。     

Finite element modal solutions of planar photonic crystal fibers with rectangular air-holes

Modal solutions of planar photonic crystal waveguides with rectangular air-holes are presented by using a rigorous full-vectorial finite element-based approach. The effective indices, mode field profiles, spot-sizes, power confinements, modal hybridness, beat lengths and group velocity dispersions are shown for the fundamental and higher order modes of the quasi-TE and TM polarizations.     

A complete boundary integral formulation for compressible Navier–Stokes equations

A complete boundary integral formulation for compressible Navier–Stokes equations with time discretization by operator splitting is developed using the fundamental solutions of the Helmholtz operator equation with different order. The numerical results for wall pressure and wall skin friction of two‐dimensional compressible laminar viscous flow around airfoils are in good agreement with field numerical methods. Copyright © 2004 John Wiley & Sons, Ltd.     

Locally Adaptive Wavelet Empirical Bayes Estimation of a Location Parameter

The traditional empirical Bayes (EB) model is considered with the parameter being a location parameter, in the situation when the Bayes estimator has a finite degree of smoothness and, possibly, jump discontinuities at several points. A nonlinear wavelet EB estimator based on wavelets with bounded supports is constructed, and it is shown that a finite number of jump discontinuities in the Bayes estimator do not affect the rate of convergence of the prior risk of the EB estimator to zero. It is also demonstrated that the estimator adjusts to the degree of smoothness of the Bayes estimator, locally, so that outside the neighborhoods of the points of discontinuities, the posterior risk has a high rate of convergence to zero. Hence, the technique suggested in the paper provides estimators which are significantly superior in several respects to those constructed earlier.     

长江堤防工程地质信息处理模型及技术方法

长江中下游的主要防洪工程是长江干堤 ,长江堤防线路长、工程浩大、堤基工程地质水文地质条件复杂 ,涉及大量的已有地质数据和资料。今后在整治加固堤防的工程地质勘察工作中 ,还需随时进行数据的收集、存储、检索、分析、统计和维护 ,随时调用这些数据进行综合处理、编制报告和图件 ;在防汛期间可以针对堤防险工险段的险情 ,随时查询和调用有关的资料、数据或者图件 ,提供采取抢险措施决策的地质依据。这既提高了地质数据的利用价值和利用率 ,又保证了信息的准确性、完整性和共享性。因此 ,建立合理的长江堤防工程地质信息处理模型及其成熟的技术方法具有重要的意义。     

脉冲微分方程的上、下解及其在常微分方程上的应用

In this paper, we establish the existence of upper and lower solutions for a periodic boundary value problems (PBVP for short) of impulsive differential equations. which guarantees the existence of at least one solution for the problem. As an application, these results are applied to PBVP of ODE and some examples are given to illustrate our results.     

Structure of norbornene-fused 3,1-oxazine double cycloadducts

Pentacyclic isoxazolines were obtained by the cycloaddition of benzonitrile oxide to norbornene-azetidinone-fused 3,1-oxazines. The constitutions of two of the isomers obtained, and the configurations and conformations of all products, were determined by means of ¹H and ¹³C NMR spectroscopy and DNOE experiments.     

量子测量对三维光子晶体中Λ型原子动力学性质的影响

讨论了量子测量对各向异性光子晶体中Λ型激发态原子衰减的影响，主要包括衰减的抑制和加速效应.研究发现，这样的量子测量效应不仅与原子共振频率相对于光子晶体带边的位置有关，还与量子测量本身的频率大小相关.由于各向异性光子晶体的影响，较小频率的量子测量也能得到抑制衰减的效应. 关键词： 量子测量 量子Zeno 和 反Zeno效应 光子晶体