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 .     

Isolation and Structure Elucidation of Nortriterpenoids from Schisandra rubriflora

Seven new highly oxygenated nortriterpenoids, rubriflorins D–J ( 1 – 7 ), were isolated from the leaves and stems of Schisandra rubriflora, and their structures were elucidated on the basis of extensive analysis of spectroscopic data. These new compounds feature the opening of ring A compared with related known nortriterpenoids isolated from the genus Schisandra and showed weak activity against HIV‐1.     

ICP－AES法测定富锗酵母中微量元素

本文采用美国ＬｅｅｍａｎＬａｂｓ公司中阶梯光栅光谱仪测定了人工培养的富锗酵母中高含量锗及镁、铜、锌、铁、钾、钠等微量元素，研究了富锗样品的前处理方法，样品加标回收率在９０％－１０３％之间，测量相对标准偏差：锗１０％，镁、铜、锌、铁、钾、钠等元素小于７％。     

A hybrid-Trefftz element containing an elliptic hole

Much work on special elements that simplify geometrical modelling of structures containing holes, cracks and/ or inclusions has been reported extensively in the literature. This paper presents a hybrid-Trefftz element containing elliptic hole formulated using Hellinger–Reissner principle by employing trial functions based on the mapping technique and the Cauchy integral method. The element presented in this paper could be regarded as an improved formulation over Piltner [Special finite elements with holes and internal cracks, Int. J. Numer. Methods Eng. 21 (1985) 1471–1485] element because the chosen trail functions in this paper have provided relatively more stable solutions. The use of the element with other ordinary displacement-based finite elements has also yielded very accurate solutions even when very coarse meshes relative to the size of the elliptic hole have been used.     

WAXS studies on block copolymers of ethylene and propylene

Wide-angle X-ray scattering from presumed block copolymers of polypropylene (PP) and ethylene-propylene copolymer (EPR), i.e., PP-EPR and PP-EPR-PP, synthesized by sequential polymerization with δ-TiCl₃? Et₂AlCl, was examined and compared with WAXS of mechanical blends and chain-transfer mixtures of PP and EPR with comparable compositions. The peak at 2θ = 20° for both the copolymers and the mixtures was attributed to the γ modification of PP in EPR. A strong variation in the ratio of diffraction intensities I₀₄₀/I₁₁₀ of PP in block copolymers and mixtures was explained in terms of crystallite growth in different directions. Analysis of the patterns and calculation of crystallinity, crystallite size, and lattice parameters led to the conclusion that block structure existed in the prepared copolymers.     

Synthesis for robust synchronization of chaotic systems under output feedback control with multiple random delays

Synchronization under output feedback control with multiple random time delays is studied, using the paradigm in nonlinear physics—Chua’s circuit. Compared with other synchronization control methods, output feedback control with multiple random delay is superior for a realistic synchronization application to secure communications. Sufficient condition for global stability of delay-dependent synchronization is established based on the LMI technique. Numerical simulations fully support the analytical approach, in spite of the random delays.     

Study of interactions of various ionic species with solvents toward the design of receptors

In earlier studies, the interactions of isolated ionic species with various solvents were investigated using ab initio calculations. The ionic species investigated included cations (proton, hydronium, ammonium, and metal cations) and anions (single electron, hydroxide, and halide anions). However in the present study, we investigate the interactions of these ionic species with the solvent in the presence of other competing ionic species. We also elaborate on how the information obtained from these extensive studies have been employed in designing and synthesizing various kinds of novel ionophores and receptors.