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。     

The β Cephei instability strip

We carried out a series of linear stability analyses of the radial and low-degree non-radial p modes for stellar models with initial masses of     . The stellar models were computed by using convective overshoot distance     , 0.25 and 0.40  H _P. Our numerical results show that the β Cephei instability strip forms a horn-shaped region pointing upwards near the main sequence on the Hertzsprung–Russell diagram (HRD). The lower part of the instability strip for the radial modes join the zero-age main-sequence (ZAMS) at     , while the top of the instability strip extends up to     . The instability strip for the non-radial modes is even wider. The overall instability strip is dominated by the radial and non-radial fundamental modes. The first overtone (the radial-order index     is also pulsationally unstable. We have shown that the β Cephei stability is almost independent of the overshoot parameter d _over used for the stellar models, while it depends critically on the metal abundance. With decreasing metal abundance, the instability region shrinks and eventually disappears for     .     

PROPAGATION OF 30—60 DAY LOW FREQUENCY OSCILLATIONS AND THEIR INFLUENCE UPON THE SUBTROPICAL WESTERLIES JET STREAM DURING NORTHERN HEMISPHERE WINTER

Based on daily ECMWF gridpoint data of two winters during 1981—1983 including an ENSOyear,propagation of low frequency oscillations(LFO)during Northern Hemisphere winters andtheir influences upon 30—60 day oscillations of the subtropical jet stream are studied with the sta-tistical methods as complex empirical orthogonal function(CEOF)and so on.Results show that inthe winter of a normal year(1981—1982),30—60 day oscillations in the subtropical zone aremainly in the northern and southern flanks of exit region of jet stream.In the ENSO year(1982—1983),they are mainly in the vicinity of entrance and exit regions of jet stream.Intraseasonalchanges of subtropical jet stream manifested themselves as latitudinal fluctuation or longitudinalprogression or regression of about 40 day period.There are marked differences between propagat-ing passages of low frequency modes responsible for changes of subtropical jet stream in the normalyear(1981—1982)and in the ENSO year(1982—1983).Changes of oscillation amplitude showobvious phases.In general,the one in late winter is stronger than that in early winter,strongestone occurs in February.     

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.     

Neutron background in large-scale xenon detectors for dark matter searches

Simulations of the neutron background for future large-scale particle dark matter detectors are presented. Neutrons were generated in rock and detector elements via spontaneous fission and (α,n) reactions, and by cosmic-ray muons. The simulation techniques and results are discussed in the context of the expected sensitivity of a generic liquid xenon dark matter detector. Methods of neutron background suppression are investigated. A sensitivity of 10⁻⁹–10⁻¹⁰ pb to WIMP-nucleon interactions can be achieved by a tonne-scale detector.     

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.     

Formation Pressure Evaluation Method for Single Well

The paper deals with the methods of formation pressure evaluation for a single well by using the very common ac-cepted parameters, such as drilling exponent , and flowline temperature , etc. which is part of compiling the end well report.     

Notes on Hori Method for Canonical Systems

In this paper a slightly different approach is proposed for the process of determining the functions S _m and H _m ^* of the algorithm of the canonical version of Hori method. This process will be referred to as integration theory of the mth order equation of the method. It will be shown that the ordinary differential equation with an auxiliary parameter t ^* as independent variable, introduced through Hori auxiliary system, can be replaced by a partial differential equation in the time t. In this way, the mth order equation of the algorithm assumes a form very similar to the one of other perturbation methods. In virtue of this new approach of the integration theory for Hori method, Lagrange's variational equations introduced by Sessin are revised. As an example, the Duffing equation is solved through this new approach.     

电测深ρ＿s差值法的应用效果

用电测深研究地电断面、寻找隐伏多金属矿体时，以往采用ρ＿ｓ（或η＿ｓ）等值线断面图进行地质推断解释，因受浅源信号的干扰，效果差。本文提出了采用ρ＿ｓ（或η＿ｓ）差值法，能排除浅源干扰信号，反映出地电断面的相对变化，突出了深部微弱信息，取得了较好的地质解释效果。