最大重迭对称性分子轨道和分子几何参数计算

建立了AMl级别的最大重迭对称性分子轨道计算方案(MOSMO)。采用通常的半经验分子轨道方法AMl级别中完全相同的参数，计算了各种分子的几何参数等。所得计算结果与实验值及HF／6-31G*从头算方法计算结果相符，说明提出的计算方案是可行的。同时，由于提出的计算方案过程简单，更易推广使用到从头算方法难以解决的大分子体系和超分子体系的结构和性质研究。     

La改性的Ag/TS-1催化剂上丙烯选择氧化制环氧丙烷

在H2 和O2 混合气体存在下 ,在常压固定床、石英反应器上考察了La改性的Ag/TS - 1催化剂催化丙烯环氧化反应。研究结果表明 ,Ag和La负载在TS - 1上的先后顺序对丙烯环氧化反应有影响。H2 在丙烯气相氧化反应体系中起着重要的作用。     

固体超强酸S_2O_8~(2-)/SnO_2-SiO_2催化合成环己酮1,2-丙二醇缩酮

采用沉淀-浸渍法制备了固体超强酸S2O28-/SnO2-SiO2,以它为催化剂催化环己酮和1,2-丙二醇合成了环己酮1,2-丙二醇缩酮;考察了带水剂种类及用量、酮醇摩尔比、催化剂用量、反应时间对产品收率的影响,并用正交实验对反应条件进行了优化。实验结果表明,适宜的反应条件为:n(环己酮)∶n(1,2-丙二醇)=1∶1.6、催化剂用量为反应物料总质量的2.0%、带水剂环己烷用量5.0mL、反应时间50min。在此条件下,环己酮1,2-丙二醇缩酮收率达到91.47%;催化剂的稳定性良好,在重复使用5次后环己酮1,2-丙二醇缩酮收率为82.20%,活性下降的主要原因为催化剂表面积碳和吸附了有机物;经傅里叶变换红外光谱和气相色谱质谱分析表明,产物为环己酮1,2-丙二醇缩酮,纯度为100%。     

Development of adolescent reading comprehension in language 1 and language 2: A longitudinal analysis of constituent components.

This study investigated the relationship between reading comprehension development of 389 adolescents in their dominant language (Language 1 [L1], Dutch) and a foreign language (Language 2 [L2], English). In each consecutive year from Grades 8 through 10, a number of measurements were taken. Students' reading comprehension, their linguistic knowledge (vocabulary and grammar knowledge) and processing efficiency (speed of word recognition and sentence comprehension) in both languages, and their metacognitive knowledge about reading were assessed. The relative strengths of the effects of these components of reading were analyzed to distinguish among 3 hypotheses about the relationship between L1 and L2 reading comprehension: the transfer hypothesis, the threshold hypothesis, and the processing efficiency hypothesis. The transfer hypothesis predicts a strong relationship between L1 and L2 reading comprehension and a strong effect of metacognitive knowledge on L2 reading comprehension, whereas the threshold and processing efficiency hypotheses predict a more important role of language-specific knowledge and processing skills. Results support the transfer hypothesis, although language-specific knowledge and fluency also contribute to L2 reading performance. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

东海西湖凹陷探井钻井完井液技术

介绍了东海西湖凹陷的储层特征。在分析探井储层损害原因的基础上，提出了优化的海水钻井完井液体系。两口井应用表明，储层保护效果明显。     

高Q Ba(Zn_(1/3)Ta_(2/3))O_3介质谐振器材料及其在毫米波系统中的应用

叙述了Ｂａ（Ｚｎ１／３Ｔａ２／３）Ｏ３介质谐振器材料的制备、结构、微波性能及典型应用。Ｂａ（Ｚｎ１／３Ｔａ２／３）Ｏ３介质材料介电常数εｒ为２９．５，频率温度系数τ≈０（－５５～＋８５℃），１０ＧＨｚ下最大无载Ｑ值１４７００，在２８ＧＨｚ测得Ｑ值约为４８００。这种材料具有高Ｑ值，特别适用于Ｘ以上波段作为振荡器电路中频率稳定元件。用这种介质谐振器已研制出８ｍｍ介质稳频微带耿氏振荡器，频率稳定度小于１０15;１０－６／℃，最大输出功率达１８０ｍＷ。     

Modular implementation of efficient self-checking checkers for the Berger code

A technique for designing efficient checkers for conventional Berger code is proposed in this paper. The check bits are derived by partitioning the information bits into two blocks, and then using an addition array to sum the number of 1's in each block. The check bit generator circuit uses a specially designed 4-input 1's counter. Two other types of 1's counters having 2 and 3 inputs are also used to realize checkers for variable length information bits. Several variations of 2-bit adder circuits are used to add the number of 1's. The check bit generator circuit uses gates with fan-in of less than or equal to 4 to simplify implementation in CMOS. The technique achieves significant improvement in gate count as well as speed over existing approaches.     

Change in the decomposition mode of 1-propanamine due to the presence of cations in MFI zeolite

The adsorption and thermal analysis of 1-propanamine has been compared over MFI zeolites which contain H, Ga, and In cations. In the case of H⁺-containing materials, NH₃ and propene are simultaneously desorbed above 600 K. This behavior, is well known and characteristic of the Hofmann elimination reaction. However, a distinctly different mode of reaction is observed in the case of Ga and In containing materials. NH₃ is released below 600 K, propene and other products are released above 600 K, and a stable residue remains above 800 K. It is suggested that such behavior results from Lewis acid interactions of Ga or In cations with propanamine.On leave from the Bulgarian Academy of Sciences, Institute of Organic Chemistry.     

氢对2.25Cr-1Mo压力容器用钢力学性能影响

基于试样高温高压釜充氢方法 ,研究了氢对 2 2 5Cr 1Mo压力容器用钢力学性能的影响。对充氢前后的试样进行了拉伸和CVN冲击试验 ,结果表明 ,氢对 2 2 5Cr 1Mo钢的拉伸力学性能和冲击韧性影响不显著。