The velocity correlation function for the Lorentz gas

The results of variational solutions of the repeated ring and self-consistent repeated ring equations for the two-and three-dimensional overlapping Lorentz gas (LG), as formulated in a previous report, are presented. Calculations of the full velocity correlation function (VCF) for the 2D LG, including long-time tails, are compared with those from molecular dynamics. The trial functions chosen lead to predictions for the long-time tails that improve as the density of the scatterers is increased. At a value of 0.24 for* (= ², where is the density and the radius of scatterers), the self-consistent amplitudes of the long-time tail are within 40% of the molecular dynamics. A limited number of 3D results for the short-time behavior of the repeated ring VCF are presented. The 3D solutions agree with the molecular dynamics to within 10%.     

K2NiF4型结构的A2－xSrxBO4(A＝La, Dy, B＝Mn, Fe, Co, Ni)希土复合氧化物的合成

以典型的轻希土镧和重希土镝及碱土金属锶作为Ａ位离子，以过渡金属锰、铁、钴、镍作为Ｂ位离子，合成了Ｋ２ＮｉＦ４型结构的Ａ２－ｘＳｒｘＢＯ４希土复合氧化物，采用粉末Ｘ射线衍射技术考察了反应条件等因素对生成Ｋ２ＮｉＦ４型四方（Ｔ）结构上析影响，实现结果表明，四方结构的形成不仅与几何因素有关，而且与各组分的物理化学性质有关。各个不同的组成，生成四方相的温度范围也有所不同。适当地提高反应温度以及延长灼烧时间     

一种由[Ag(CN)2]-和Mn(Ⅱ)建筑块组装的三个三维网穿插的超分子配合物的结构和荧光性质

0 Introduction Recently, a considerable effort on crystal engi- neering has been devoted to the research of supramolecular assemblies because they show abun- dant topologic structures and offer possibilities for po- tential applications of functional mate…     

Cu(phen)22+与6-巯基嘌呤及DNA间的相互作用

在Tris-NaCl（pH=7.2）缓冲溶液中,应用伏安法、电子吸收光谱分析、溴化乙锭荧光分析、粘度测量和琼脂糖凝胶电泳等技术研究了Cu（phen）2^2＋（phen=1,10-邻菲咯啉）与6-巯基嘌呤（6-MP）及DNA间的相互作用。结果表明,Cu（phen）2^2＋与6-MP发生了明显的相互作用,其作用产物不仅与小牛胸腺DNA具有更强的相互作用,并且在H2O2和抗坏血酸存在下对质粒pBR322 DNA具有更强的断裂能力,与DNA的作用模式可能为部分插入模式。     

稀土复合变质对新型铸造热锻模具钢组织与性能的影响

研究了稀土复合变质对新型铸造热锻模具钢（CHD钢）组织与性能的组织。结果表明，稀土复合变质能细化晶粒，并且随着稀土量的增加。细化效果明显；加入适量的稀土复合变质后，夹杂物数量明显减少，夹杂物趋于球化并均匀地分布在钢中，形态和分布得以了改善，向钢中加入稀土进行复合变质，能促进贝氏体、奥氏体和位错亚结构的形成，细化马氏体板条。当残留稀土含量为0.02%时，CHD钢的硬度、强度变化不大，断裂韧性（KIC）和疲劳裂纹扩展门槛值（△Kth）有所提高，冲击韧性、延伸率、断面收缩率提高了近一倍，抗热疲劳性能也最好。     

蛋白质—四氯苯醌荷移反应的分光光度研究

本文用分光光度法研究了蛋白质—四氯苯醌荷移反应。通过对影响反应各因素的研究,确立了以四氯苯醌形成荷移络合物的方法测定蛋白质的最佳条件,测定了最大结合数及反应平衡常数。     

A Novel Organic—Inorganic Complex：Synthesis and Crystal Structure of [Ca（DMSO）5（H2O）]2 SiMo12O40

It is becoming a focus to synthesize and assemble organic-inorganic materials, especially, to synthesize charge-transfer complexes formed by polyoxometalate and organic donors. They have attracted much attention because such complexes are active in their electric, magnetic and optic properties1-4, many investigations about them have been done and some crystal structures of them were reported5-6. But, the disadvantage of these crystals is instability at room temperature. According to the view…     

铁羰基络合物制备的一氧化碳加氢催化剂的研究

本文采用Ｆｅ＿３（ＣＯ）＿（１２）制备担载型络合物催化剂。采用程序升温反应技术考察了这类催化剂（ＣＯ＋Ｈ＿２）的反应性能，井使用紫外漫反射光谱和穆斯堡尔谱对催化剂进行了表征。经２５０℃和１５０℃还原的Ｆｅ／γ－Ａｌ＿２Ｏ＿３催化剂不仅活性远远高于４５０℃还原的Ｆｅ／γ－Ａｌ＿２Ｏ＿３，而且前者在反应过程中有乙烯和乙烷生成，后者则只有甲烷生成。经２５０℃还原的Ｆｅ／分子筛催化剂的活性高于４５０℃还原的Ｆｅ／分子筛催化剂，而且前者在反应过程中有乙烯、乙烷和丙烯生成，后者则只有甲烷生成。紫外漫反射谱和穆斯堡尔谱结果表明：较温和条件下活化的催化剂上有金属于属键骨架的存在。