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     

许旋  罗一帆  李华祥 《广东海洋大学学报》1992,(2)

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。  相似文献   

重力插值方法研究     

向文 《大地测量与地球动力学》1997,(2)

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）。  相似文献   

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

Lin Liu  Xinhao Liao 《Celestial Mechanics and Dynamical Astronomy》1994,59(3):221-235

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.  相似文献   

Numerical modelling of permafrost in bedrock in northern Fennoscandia during the Holocene     

I. T. Kukkonen  J. afanda 《Global and Planetary Change》2001,29(3-4)

The occurrence of permafrost in bedrock in northern Fennoscandia and its dependence on past and presently ongoing climatic variations was investigated with one- (1D) and two-dimensional (2D) numerical models by solving the transient heat conduction equation with latent heat effects included. The study area is characterized by discontinuous permafrost occurrences such as palsa mires and local mountain permafrost. The ground temperature changes during the Holocene were constructed using climatic proxy data. This variation was used as a forcing function at the ground surface in the calculations. Several versions of the present ground temperature were applied, resulting in different subsurface freezing–thawing conditions in the past depending on the assumed porosity and geothermal conditions.Our results suggest that in high altitude areas with a cold climate (present mean annual ground temperature between 0°C and −3°C), there may have been considerable variations in permafrost thickness (ranging from 0 to 150 m), as well as periods of no permafrost at all. The higher is the porosity of bedrock filled with ice, the stronger is the retarding effect of permafrost against climatic variations.Two-dimensional models including topographic effects with altitude-dependent ground temperatures and slope orientation and inclination dependent solar radiation were applied to a case of mountain permafrost in Ylläs, western Finnish Lapland, where bedrock permafrost is known to occur in boreholes to a depth of about 60 m. Modelling suggests complicated changes in permafrost thickness with time as well as contrasting situations on southern and northern slopes of the mountain.Extrapolating the climatic warming of the last 200 years to the end of the next century when the anticipated increase in the annual average air temperature is expected to be about 2 K indicates that the permafrost occurrences in bedrock in northern Fennoscandia would be thawing rapidly in low-porosity formations. However, already a porosity of 5% filled with ice would retard the thawing considerably.  相似文献   

Urban tourism research methodology     

Tao Wei  Zhong Wen-hui  Hong Yan 《中国地理科学(英文版)》2005,15(2):173-178

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太阳活动区磁场观测的一种新方法     

崔连竖  季国平  方成 《中国天文和天体物理学报》1986,(3)

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。  相似文献   

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

Yu-Sheng Hsu  Joseph J. Walker  David E. Ogren 《Mathematical Geology》1986,18(2):153-160

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.  相似文献   

简单分段法在地层划分中的应用     

庞兴南 《南方国土资源》1993,(2)

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。  相似文献   

天文(重力)水准的新手段及其计算方法     

张赤军 《大地测量与地球动力学》2002,22(4):31-34

介绍当今确定天文大地垂偏差的新仪器－CCD自动天体测量仪和确定两点间高程异常差的新方法，该方法用单极坐标代替繁琐的双极坐标进行计算，讨论了天文重力水准的误差及垂线偏差非线性影响等问题，估计在不久的将来，用这一手段施测山区似大地水准面的精度可望达到厘米级。  相似文献   

概论机场能见度的准确预报     

张晓晖 《成都信息工程学院学报》2002,17(3):166-169

通过对影响能见度的因素的分析，提出了一种能见度预报方法－综合分析法，极大地提高了能见度的预报准确率。  相似文献