Synthesis of acetone oxime through acetone ammoximation over TS-1

The ammoximation of acetone to acetone oxime with 30 wt.% hydrogen peroxide over TS-1 has been studied. The conversion of acetone and the selectivity to acetone oxime can reach 99% and 94%, respectively. The by-products are the corresponding hydrazone, imine and small amounts of unidentified compounds. The influence of various parameters such as solvent, temperature, amounts of catalyst and the NH₃ to acetone molar ratio were investigated. This revised version was published online in August 2006 with corrections to the Cover Date.     

将SVRT模型应用到单原子多原子反应F+CH2D2→CH2D/CHD2+DF/HF中

由于含时波包方法具有经典的直观又不乏量子力学的准确 ,选择含时波包方法来处理F +CH2 D2 →CH2 D/CHD2 +DF/HF反应 .把半刚性振转子 (SVRT)模型应用到该反应体系中 ,研究了两个通道中该反应从基态反应物开始在修正过的J1(MJ1)势能面上计算出来了反应几率、积分截面、速率常数 .反应几率随能量变化的图的数值结果给出了振荡结构 ,这些振荡结构是可以和动力学振荡联系起来的 .而这些振荡结构在积分截面随着能量变化的图中就被反应几率求和后的平均结果所掩盖了 .速率常数和实验结果的比较也得到了较好的结果 .     

Electronic structures and ferroelectric properties of ABi2Ta2O9 (A=Ca, Sr, and Ba)

The electronic structures of ABi₂Ta₂O₉ (A=Ca, Sr, and Ba) were calculated by using first-principles under optimized structure. As the size of A-site cation decreases from that of Ba²⁺ to Ca²⁺, the band-gap between O 2p and Ta 5d increases from 2.0 to 2.9 eV, which responses to the stronger orbital hybridizations between Ta 5d and O 2p orbits favoring improvement of the ferroelectric property, decrease in leakage current, and increase in both spontaneous polarization and Curie temperature by the structural distortion. In contrast to CaBi₂Ta₂O₉ and SrBi₂Ta₂O₉, the hybridization between Ba 5p orbits and O 2p orbits in BaBi₂Ta₂O₉ has better structural stability.     

基于人工神经网络的商业银行信用风险模型

在对人工神经网络的基本原理进行简要介绍的基础上 ,着重对构建商业银行信用风险的人工神经网络模型进行了研究 ,实证结果表明 ,人工神经网模型具有很高的预测精度     

Molybdenum nitride fibers or tubes via ammonolysis of polysulfide precursor

Millimeter-sized molybdenum nitride (MoN), in the forms of fiber-like prisms or hollow tubes, has been successfully synthesized via thermal ammonolysis of molybdenum polysulfide precursor. The initial morphology of the precursor is well preserved in the final product. This method could be expanded to preparation of other fiber-like nonmetal ceramics without addition of template. The polysulfide precursor (abbreviated to PS), hydrothermally prepared at 30°C (PS1) or 150°C (PS2), was characterized by various methods for better comprehension of the sulfide-nitride topotactic conversion model.     

On locating low altitude moving targets using a planar acoustic sensor array

It is of engineering importance to locate low altitude moving targets with acoustic methods due to the blindness of the traditional radar detecting. In this paper, an algorithm for locating low altitude moving targets is put forward based on a five-element planar acoustic sensor array. The method is realized through estimations of the sensor-to-sensor time delays of the source signal generated by the low altitude moving target. The angle and range estimation performance of the proposed method are analyzed, respectively, both in theoretical and numerical sense.     

Synthesis of some chiral liquid crystals and study of the effect of intramolecular hydrogen bonding on the phase behaviour

The synthesis of three new series of chiral Schiff's bases containing benzilideneaniline and 2-hydroxybenzilideneaniline moieties as mesogenic cores is presented. Differential scanning calorimetry, optical polarizing microscopy and X-ray diffraction measurements were used to study the phase transition temperatures and behaviour. The results reveal that most of these materials show chiral smectic mesomorphism.     

Temperature anomaly of the Cd hyperfine field in a trivacancy complex in Ni

The temperature dependence of the Cd hyperfine field in a trivacancy complex in Ni between 25 and300 K is reported. It was found that, unlike the Cd substitutional field in Ni which follows the temperature dependence of the magnetization, the Cd hyperfine field in a trivacancy complex is essentially temperature independent. This temperature anomaly is compared with other temperature anomaly of impurity hyperfine fields in ferromagnetic hosts.     

软x射线近贴显微技术

软x射线近贴显微技术不但可使活的生物样品成象,分辨率高于光学显微镜,而且人为的样品准备程序在该技术中都可避免。本文描述了用高功率激光打靶产生的等离子体作为软x射线源而进行的近贴显微研究,并得到了分辨率好于1μm的结果。     

类锂铝复合机制产生X光激光的等离子体状态

本文从速率方程出发,讨论了类锂铝复合等离子体的激发态结构,衰减常数,反转率和小信号增益等表征介质增益特性的物理量以及它们随电子温度,电子密度和光子逃逸几率的变化。找到了进行类锂铝离子通过复合机制产生X光激光设计应创造的等离子体状态目标区域。还讨论了这些物理量随原子序数变化的定标律。