量子化学方法研究氯代苯酚类化合物对水生物毒性的构效关系

对20个氯代苯酚类化合物进行了CNDO/2量子化学计算,讨论了化合物电子结构与其对水生物翻车鱼(Bluegill)、花鳉鱼(Guppy)、和虾(Shrimp)半致死量之间的关系,分别获得了表示其构效关系的三个线性方程,它们的显著性均远高于α=0.01水平。结果表明:氯代苯酚化合物苯环上碳原子的兀电荷之和(∑Qπ_R)越大苯环上碳原子的净电荷之和(∑Q_R)越大,或LUMO轨道能(E_(LUMO))越低,均使化合物对Bluegill和Guppy水生物的毒性增大;而化合物苯环上羟基邻位的碳原子的兀电荷布居(P_3)越大,同时HOMO轨道能E_(HOMO)越高,则化合物对Shrimp毒性也越大。据此,可预测氯代苯酚类化合物对上述三种水生物的毒性。     

重力插值方法研究

为了根据离散观测数据构制连续空间重力变化图像，分析和讨论了３种数值插值方法，计算结果表明多面函数方法插值精度最高。由于逐步回归分析筛选核函数中心点的计算繁琐，文中提出根据分形理论和Ｓｈａｎｎｏｎ取样定理来确定核函数中心点。对滇西试验场进行模拟试算，插值精度可达到４～５（１０－８ｍｓ－２）。     

Numerical calculations in the orbital determination of an artificial satellite for a long arc

Numerical methods are usually used for the computation of ephemerides with perturbations for the precise orbital determination of an artificial satellite. But their numerical stability will be encountered in a long arc. In this case the use the improved Encke special perturbation methods has been suggested. The results of this paper show that Encke's method does indeed have a certain effectiveness, but cannot yet completely resolve the numerical stability, and the more efficient method is to use the energy integral or its variational relation to control the growth of the along-track error in general numerical calculations so that the aim of stabilization can be achieved.     

太阳活动区磁场观测的一种新方法

在太阳活动区的物理研究中,特别是在二维动力学光谱分析中,迫切需要相应活动区的磁图资料。本文介绍了在太阳光谱仪的入射狭缝后安装一种新型偏振器进行活动区二维磁场观测的新方法。这种方法不仅能获得日面上任一点的磁场强度,且可快速获得活动区的纵向场磁图。除此之外,还可利用多条谱线的同时观测,获得有关磁力线管结构等方面的资料。     

A stepwise method for determining the number of component distributions in a mixture

This paper considers the problem of estimatingm, the number of components in a finite mixture of distributions from a parametric family. A step-up procedure using the bootstrap method is proposed. Some properties of the procedure are illustrated with simulation studies. An example of the method, applied to orientation of beach clasts, is given.     

On salinity regimes and the vertical structure of residual flows in narrow tidal estuaries

An examination is made of the circulation in narrow estuaries subject to a predominant tidal forcing. Velocity structures are derived separately for residual flow components associated with (a) river flow, (b) wind stress, (c) a well-mixed longitudinal density gradient and (d) a fully stratified saline wedge. Dimensionless parameters are introduced to indicate the magnitude of each component and these parameters are evaluated for 9 major estuaries, thereby revealing their sensitivity to each component.For a channel of constant breadth and depth, formulae are deduced for the length of saline intrusion, L. Comparisons with observed data show that such formulae may be used with confidence to predict changes in L arising from variations in river flow, tidal range or channel depths.The level of stratification is shown to be related to a product of two parameters, one associated with velocity structure and a second involving the square of the ‘flow ratio’ $\text{u}\text{u}\text{?}$ (i.e. residual velocity/amplitude of the tidal velocity). This relationship provides a simple classification system for estuarine stratification which can be used to indicate the sensitivity of any particular estuary to changing conditions.     

简单分段法在地层划分中的应用

本文简介海南省1:5万坝王岭、猴狝岭幅区域地质调查的地球化学简单分段法在地层划分中的应用。根据对下古生界变质岩与白垩系红层两条地层实测剖面的地球化学资料整理,用简单分段法进行划分、其效果较好。它的地球化学组分基本能反映原始沉积物的特点和其沉积环境,且与岩石地层的划分相互印证。