边界衍射波理论公式的准确性数值分析

利用数值分析的方法分析了由边界波理论公式所得的圆形光阑衍射场的光强分布.通过对边界波理论公式所得的光强分布曲线,对几何照明区与阴影区的光强分布曲线与面衍射积分公式所得的光强分布曲线进行比较,分析了边界波理论公式对衍射场描述的准确性.     

Resolution of Secondary α-Ketoalcohols Catalyzed by Lipase and Inversion of Stereochemistry

Several α-ketoalcohols of synthetic value were resolved using lipase as a catalyst. Lipoprotein lipase (LPL) provided the best rate of hydrolysis and kinetic differentiation. One of these optically pure α-ketoalcohol was converted to (5)-ibuprofen in good optical purity. The stereospecific inversion of (R)-alcohol to (S)-alcohol is described.     

F／Cl比与Eu~（2＋）：BaFCl中F色心的浓度和光激励截面的关系

研究了Ｅｕ（２＋）：ＢａＦｘＣｌ２在紫外线辐照下的光激励发光。通过改变激励方式及激励光的扫描方向，给出了Ｅｕ（２＋）：ＢａＦｘＣｌ２－ｘ光激励发光过程中，两种Ｆ色心的浓度比值与光激励截面比值的测定方法。利用这种测定方法，进一步研究了两种Ｆ色心的浓度比值和光激励截面比值与Ｆ／ＣＩ比值的关系。     

Preparation and structural stability investigation of CoN/CN soft X-ray multilayers

The structural stability of heat-treated CoN/CN soft X-ray multilayers fabricated by dual-facing-target sputtering has been investigated by using complementary measurement techniques. The high temperature annealing results imply that the destructive threshold of the Co/C multilayers is improved by 100–200 degrees centigrade through doping with N. The low-angle X-ray diffraction of CoN/CN soft X-ray multilayers indicates that the period expansion of the multilayers is only 4 % at 400°C, and the interface pattern still exists even if they were annealed at 700°C. The Raman spectra analyses give the evidence that the formation of the sp³ bonding in the CN sublayers can be suppressed effectively by doping N with atoms, and thus the period expansion resulting from the changes in the density of CN layers can be decreased considerably. The X-ray photoelectron spectra analyses present the information of the existence of the strong covalent bonding betweenC andN atoms, and the ionic bonding between Co and N atoms, which can slow down the tendency of the structural relaxation. The interstitial N atoms decrease the mobility of Co atoms, and thus the fcc-Co and hcp-Co coexist even though the annealing temperature is much higher than the phase transformation temperature of 420°C, leading to the suppression of the grain growth.     

自相似结构壳模型

为了扩展以简谐振子为基矢的常规壳模型（ＳＭ）计算到晕核，提出了自相似结构壳模型（ＳＳＭ）．通过对简谐振子动能项和势能项的重度规以及单粒子平均场模拟，可以得到ＳＳＭ中的单粒子轨道有态相关的圆频率，在ＳＳＭ中，晕核大的均方根半径、厚的中子皮以及Ｂｏｒｒｏｍｅａｎ晕核和的束缚态性质能够再现出来。     

N-[(2,2–propinyldiferrocenyl)methinyl]benzoyl hydrazone and its bivalent transition metal complexes

Transition Metal Chemistry -     

谐振子薛定谔方程的简单解法

物质的许多物理与化学性质都可以用线性谐振子模型解释，本文用简单的数学运算求解线性谐振子的薛定谔方程，避免了特殊函数等复杂的数学运算，得出了量子力学教材完全相同的结果。     

H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?

High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations.