Halogen Bonding： An AIM Analysis of the Weak Interactions

A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules （AIM） approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points （XBCP） and the values of the electron density （Pb） and Laplacian of electron density （V2pb） at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes （△） upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength In addition, an excellent linear relationship between the interatomic distance d（X…N） and the logarithm of Pb has been established.     

几何画板在交流电路教学中的运用

The Geometers Sketchpad（简称GSP）是由美国Key Curriculum Press公司制作并出版的数理软件．1995年由人民教育出版社及全国计算机发展中心联合引进，其汉化版称为《几何画板》，被誉称为“21世纪的动态几何”．几何画板与许多绘图软件类似，不仅能绘制各种几何图形，还提供了测量和计算功能，能对图形中的测量数据实时显示，并引入了坐标系，为研究方程、函数、曲线以及矢量关系提供了良好的平台．     

珠算累减开立方

珠算累减开立方，是应用珠算累减方法进行开立方运算。它不需估根试算，也不受档数限制，利用算珠可以累计的特点，通过累减运算，依次直接得出各位方根。计算步骤如下。     

实物贴水储蓄的计算法

目前各银行都在开展“实物贴水储蓄”业务。广告上写：“存款6500元．存期五年，到期取本无息，当即奖北京牌18时彩电一台；……”“实物贴水储蓄”，是以储户切望自己拥有，而目前市场上难以购到的某些紧俏商品，进行吸资的储蓄。“实物贴水储蓄”的计算方法为：一．由现行存款利率和存入金额计算存款利息的现值；二，计算存入多少钱．其利息现值刚好等于某实物的价格。     

两个非线性方程的准确解

借助于计算机代数系统Ｍａｔｈｅｍａｔｉｃａ利用直接代数方法获得了两个有数学物理意义的非线性耗散－色散方程的准确解，这种方法也适用于高维非线性方程。     

利用有限几何构作3-PBIB（2）设计和3-设计

The concept of t-PBIB design was introduced by Wei Wandi and Yang Benfu as a generalization of G-design and PBIB design. In this paper, a number of 3-associntion schemes and 3-PBIB(2) designs are constructed on the bases of the finite vector space over Fq and the finite unitary geometry over Fq2. Then a number of 3-designs are constructed on the bases of the finite orthogonal geometries over Fq. The parameters of all these designs are computed.     

地球物理正问题计算的小波方法

本将小波分析方法用于一类奇异积分方程的计算，建立了小波展开的非标准形式与标准形式转换关系，根据Mallat小波快速算法，设计了此类积分的计算算法，并通过实际例子验证了方法的有效性，计算具有速度快，运算量少的特点。     

几类数列通项的矩阵求法

本利用矩阵给出了几类数列的通项公式的求法，把数列通项公式的求法转化为矩阵幂的计算，思路简单、计算简便，并能判别其敛散性。