用氯代苯、烷基酚和醇类化合物气相色谱保留指数预测其生物活(毒)性

构建了从氯代苯、烷基酚和醇类化合物气相色谱保留指数RI预测其生物活(毒)性-lgCi的公式.研究了这3类衍生物在不同极性固定柱上测得的气相色谱保留指数RI预测其生物活(毒)性-lgCi的准确性.得出了弱极性固定柱上测得的气相色谱保留指数RI更能准确地预测其生物活(毒)性-lgCi,从而为有机化合物的生物活(毒)性测定和预报提供了一种简便易行的新方法.     

一类二次紧支撑样条小波插值的渐近性质

探讨了一类二次紧支撑样条小波插值．得到了插值误差的逐项渐近展开，获得插值误差关于步长h的级数表示．     

非晶聚合物构型熵的温度关系

基于无序非晶材料“关联蕈排区域”的构型熵理论，运用构型熵与热容龟差的关系式、弛豫时间与活化势垒的基本公式，及聚合物量热学的实验结果和热容量差与温度的基本关系，研究了4种情况下构型熵、介电弛豫指数和关联重排区域大小的温度变化关系，研究结沦表明：聚合物的构型熵随温度的上升均增大，并由同一物质非品态的热容量与晶态的热容量之差决定，其变化限制在热容量差为恒定及与温度成倒数的范围之内。     

空调循环水的化学处理

随着中央空调的发展,中央空调水处理已成为工业水处理中的重要领域。文章针对三大循环水系统(循环冷却水系统、循环冷冻水系统、循环热水系统)的特点,分别论述这三种水系统的水处理方法。     

油房庄注水井对油层的伤害及其因素研究

为了解决油房庄长1油藏目前注水井注水压力普遍偏高、注水困难、地层压力下降快、增注措施后有效期短等问题,从地层特性、注入水水质、机杂堵塞、结垢等方面评价了可能对储层造成的伤害及伤害程度,得出了该区长1油藏伤害主要是结垢伤害,最后提出了一些建议.     

描述流体临界区性质的状态方程及标度律方法

针对Ｐｅｎｇ—Ｒｏｂｉｎｓｏｎ状态方程及Ｆｏｘ提出的标度变换方法，作者提出了两点修正．修正后的Ｆｏｘ方法可以移动计算所得的临界点，并满足过渡区的理论要求．对１５种纯流体的近临界区（０．９８＞Ｔｒ＞０．８３）的汽、液两相密度及饱和蒸汽压的计算结果表明，所提出的方法较原始Ｆｏｘ方法更为合理地描述了流体在临界区附近的性质，同时可实现从远离临界区向临界区的平滑过渡     

Ordination in the presence of group structure,for general multivariate data

A low-dimensional representation of multivariate data is often sought when the individuals belong to a set ofa-priori groups and the objective is to highlight between-group variation relative to that within groups. If all the data are continuous then this objective can be achieved by means of canonical variate analysis, but no corresponding technique exists when the data are categorical or mixed continuous and categorical. On the other hand, if there is noa-priori grouping of the individuals, then ordination of any form of data can be achieved by use of metric scaling (principal coordinate analysis). In this paper we consider a simple extension of the latter approach to incorporate grouped data, and discuss to what extent this method can be viewed as a generalization of canonical variate analysis. Some illustrative examples are also provided.     

A generalization of GIPSCAL for the analysis of nonsymmetric data

Graphical representation of nonsymmetric relationships data has usually proceeded via separate displays for the symmetric and the skew-symmetric parts of a data matrix. DEDICOM avoids splitting the data into symmetric and skewsymmetric parts, but lacks a graphical representation of the results. Chino's GIPSCAL combines features of both models, but may have a poor goodness-of-fit compared to DEDICOM. We simplify and generalize Chino's method in such a way that it fits the data better. We develop an alternating least squares algorithm for the resulting method, called Generalized GIPSCAL, and adjust it to handle GIPSCAL as well. In addition, we show that Generalized GIPSCAL is a constrained variant of DEDICOM and derive necessary and sufficient conditions for equivalence of the two models. Because these conditions are rather mild, we expect that in many practical cases DEDICOM and Generalized GIPSCAL are (nearly) equivalent, and hence that the graphical representation from Generalized GIPSCAL can be used to display the DEDICOM results graphically. Such a representation is given for an illustration. Finally, we show Generalized GIPSCAL to be a generalization of another method for joint representation of the symmetric and skew-symmetric parts of a data matrix.This research has been made possible by a fellowship from the Royal Netherlands Academy of Arts and Sciences to the first author, and by research grant number A6394 to the second author, from the Natural Sciences and Engineering Research Council of Canada. The authors are obliged to Jos ten Berge and Naohito Chino for stimulating comments.     

Three-way distances

In this paper, dissimilarity relations are defined on triples rather than on dyads. We give a definition of a three-way distance analogous to that of the ordinary two-way distance. It is shown, as a straightforward generalization, that it is possible to define three-way ultrametric, three-way star, and three-way Euclidean distances. Special attention is paid to a model called the semi-perimeter model. We construct new methods analogous to the existing ones for ordinary distances, for example: principal coordinates analysis, the generalized Prim (1957) algorithm, hierarchical cluster analysis.     

GaAs／Ge_xSi_（1－x）系统的电子能带结构

采用紧束缚方法计算了生长在ＧｅｘＳｉ１－ｘ合金（００１）面上的应变ＧａＡｓ层以及生长在Ｓｉ（００１）面上的应变超晶格（Ｓｉ２）４／（ＧａＡｓ）４的电子能带结构。讨论了应变对电子能带结构的影响．