CX_2(NO_2)_2(X=H,F,C1)分子旋转势和构型稳定性的ab initio研究

本文用ab initio计算方法,采用STO-3G基组,对二硝基卤代甲烷CH_2(NO_2)_3(1),CF_2(NO_2)_2(2);CCl_2(NO_2)_2(3)等分子作了单点计算,研究其旋转势能.全构型优化研究了五个具有对称性构型的结构和稳定性,并作了理论分析和探讨.     

Studies of the kinetics of the reduction of chromate by glutathione and related thiols

The reduction of chromate by glutathione, its mono- and diethyl esters, -cysteine, 2-mercapto-propionic acid and mercapto-succinic acid has been studied. The empirical rate law k_obs = ab[Thiol]²/(1 + b[Thiol]) is obeyed by all of these thiols, at neutral pH. No evidence could be obtained for a first-order pathway in glutathione under these conditions. These observations are used to comment on the stability of intermediates potentially important in explaining chromate toxicity.     

Theory of main chain nematic polymers with spacers of varying degree of flexibility

Main chain liquid crystal polymers are modelled as either worms or jointed rods. In reality they are composed of mesogenic units (rods) linked by spacers with varying degrees of flexibility. We present a molecular model to describe non-homogeneous nematic polymers. The model takes account of molecular parameters, such as the lengths of the mesogenic group and the spacer units, and the interactions between them. The spacers are found to have an order differing from the mesogenic units. If the spacer is not very long and thus in effect is inflexible, one end of the spacer can retain to some extent the orientation of the other end, allowing orientational correlation between spacers mediated by the intermediate mesogenic unit. This is important in giving the chain a global rod-like behaviour as the nematic field becomes strong or the temperature low. The nematic order of the two components (mesogens and spacers), the nematic-isotropic transition as well as the latent entropy are examined. Furthermore, the anisotropic conformations of the polymers are investigated, which show either rod-like or random walk behaviour. Comparison of our results with experiment is found to be satisfactory.     

A NUMERICAL EMBEDDING METHOD FOR SOLVING THE NONLINEAR COMPLEMENTARITY PROBLEM(Ⅱ)-ALGORITHM AND ITS CONVERGENCE

In this paper,based on the results presented in part Ⅰ of this paper[18],we present a numerical embedding algorithm for solving the nonlinear complementarityproblem, and prove its convergence carefully. Numerical experiments show that thealgorithm is successful.     

二阶线性微分方程的解法改进

本改进了二阶线性微分方程的朗期基解法，只要求出转化以后的一阶微分方程或二阶齐次线性微分方程的一个特解，即可求出二阶线性微分方程的通解。     

激光二极管侧面抽运Nd:YAG锁模激光器的研究

利用谐振腔的稳定条件对激光二极管侧面抽运的Nd：YAG锁模直腔的稳区特性和谐振腔内的光斑分布进行了分析。根据对腔参量的分析，选取合适的腔参量设计了一个简单的侧面抽运直腔，该谐振腔腔形简单，没有像散，振荡光模式好，有利于激光器的锁模运转。实验中采用国内自行研制的半导体可饱和吸收镜，实现了激光二极管侧面抽运半导体可饱和吸收镜锁模Nd：YAG激光器的连续锁模运转，平均输出功率为2W，锁模脉冲宽度为10ps，重复频率为100MHz。结合实验结果进一步讨论了半导体可饱和吸收镜的一些参量如饱和恢复时间、调制深度等对实现稳定连续锁模的影响。     

用定义求解高等数学中的有关问题

应用导数的定义，为分段函数的分界点提供了一种行之有效的求导方法，利用微分的定义判断函数在分界点及其他特殊点的可微性，运用定和分的定义求一类特殊类型的极限．     

"全反射"与课堂教学素质化

素质教育的主阵地是课堂教学.如何切实做到物理教学素质化呢?下面结合“全反射”的教学,谈几点看法和做法.1 课堂教学目标构建的多元性 课堂教学强调目标构建的多元性,以完成教学多方位的艰巨任务,这是素质教育的重要教学特征之一.因而在制定具体的物理教学目标时,既要有知识、技能方面的要求,     

Effect of track stiffness on vibration levels in railway tunnels

The paper discusses the difficulties in comparing and drawing conclusions from vibration measurements made in different railway tunnels. A number of new measurements are presented, which have been made and analyzed on a consistent basis. The track stiffness has been determined for each of the measurements. Graphs are presented which indicate the level of rail and tunnel floor vibration likely to occur for different track stiffnesses. The variance in the measurement results also indicates the potential error in using the data to predict vibration levels in new situations.     

Nonlinear Filtering for Diffusions in Random Environments

Suppose that the signal X to be estimated is a diffusion process in a random medium W and the signal is correlated with the observation noise. We study the historical filtering problem concerned with estimating the signal path up until the current time based upon the back observations. Using Dirichlet form theory, we introduce a filtering model for general rough signal X ^W and establish a multiple Wiener integrals representation for the unnormalized pathspace filtering process. Then, we construct a precise nonlinear filtering model for the process X itself and give the corresponding Wiener chaos decomposition.