Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Direct Observation of Non-covalent Complexes for Phosphorylated Flavonoid-protein Interaction by ESI

Diethyl flavon-7-yl phosphate was synthesized by modified Atheron-Todd reaction. The result of ESI shows that the phosphated flavonoids possess stronger binding affinities toward proteins such as myoglobin, insulin and lysozyme and are easier to form the non-covalent complexes with them.     

Fabrication of Zeolite A Rods with Irregular Macropores by Self-assembly of Zeolite A Microcrystals Using Microwave-assisted Hydrothermal Synthesis

Zeolite A rods by self-assembly of zeolite A microcrystal were successfully synthesized by microwave-assisted hydrotherrnal synthesis. The average size of zeolite crystals consisting of self-assembling materials was about 300 nm and the length of zeolite rods was in the range of 15--30μm.     

The Isoelectric Point and the Points of Zero Charge of Fe-Al-Mg Hydrotalcite-like Compounds

The relation of the isoelectric point (IEP) and the point of zero net charge (PZNC) of the hydrotalcite-like compounds was discussed. It was found that the IEP does not equal to the PZNC and the IEP is higher than the PZNC. The structural positive charges existing in the HTlc,which cause the difference between the IEP and the PZNC. The effects of the structural positive charges of the HTlc on its IEP and PZNC are the same as the specific adsorption of metal cations.     

趣谈水的几个物理特性

在我们人类生活的地球表面上 ,有 70 %的地方由液态水覆盖着 ,可以说地球是个名副其实的“水球”。几乎所有的生命形式的主要构成成分都是水 ,没有水就没有生命的存在 ,也不会有今天有滋有味的生活。水有很多我们熟知的特性 ,如无色、无味、能溶解许多物质、在 0℃时结冰、10 0℃时汽化、能吸收大量的热能、能形成晶莹的水珠等等。虽然一般人对水都比较了解 ,但仍有很多值得研究的地方 ,即使是它那些熟知的特性也显得是如此地巧妙 ,因而让人类居住的这个神秘的星球有了无比丰富的生命与多姿多彩的生活。一、水的溶解性与食味图 1　　　水比…     

A Continuation Method of Parameter Inversion for Non-Equilibrium Convection-Dispersion Equation

Based on the homotopy mapping, a globally convergent method of parameter inversion for non-equilibrium convection-dispersion equations （CDEs） is developed. Moreover, in order to further improve the computational efficiency of the algorithm, a properly smooth function, which is derived from the sigmoid function, is employed to update the homotopy parameter during iteration. Numerical results show the feature of global convergence and high performance of this method. In addition, even the measurement quantities are heavily contaminated by noises, and a good solution can be found.     

非负矩阵与有向图的谱半径

本文给出非负矩阵的谱半径的上界、下界,由此给出有向图的谱半径的界.     

电场对水结构的影响—电场处理水的应用机理研究

水经电场作用后，能使其内部结构发生变化，造成它的理化特性出现一系列改变，根据所提供的实验数据，提出电场可引起部分水分子的氢氧键断裂，使水中出现过量的超氧阴离子自由基，过氧化氢及自由质子，这一结论可满意地解释如下现象：用电处理水喂养纤毛虫，其分裂速度加快；受电场刺激的鱼胚胎，其孵化率，存活率明显提高，其后期生长速度加快等。     

一个强极限定理

设是可列非齐次马氏链，本文通过利用［１］中提出的在Ｗｉｅｎｅｒ概率空间的一种实现，而给出了一个对任意可列非齐次马氏链普遍成立的强极限定理。