质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

吡罗红为底物的辣根过氧化物酶催化荧光反应测定葡萄糖

吡罗红在辣根过氧化物酶催化下可被过氧化氢氧化而使其荧光猝灭。在pH 7.2中性介质中,稳态催化速率由酶和底物浓度决定,催化体系服从Michaelis-Menten方程,用Lineweaver-Burk作图法求得米氏常数、最大反应速度、催化常数分别为2.4×10~(-5)mol·L-1,2.5×10~(-6)mol·L-1s-1,75.8 s-1。在最佳反应条件下,荧光F0/F的猝灭程度与过氧化氢浓度在0-3.6×10~(-7)mol·L-1范围内成线性关系,检测限为6.3×10~(-9)mol·L-1;当与葡萄糖氧化酶联用时,可定量检测葡萄糖,线性关系为0-8.0×10~(-7)mol·L-1,检测限为3.4×10~(-8)mol·L-1。方法用于分析人血清中葡萄糖含量,分析结果与苯酚-4-氨基安替比林法基本一致。     

A NOTE OF THE SPECTRUM OF HOMOGENEOUS COMPACT OPERATORS

In this paper, we present some counterexamples which show that there is no theory on the spectrum of homogeneous compact operators which parallels the Riesz-Schauder theory on the spectrum of linear compact operators. These counterexamples also illustrate that it is impossible to study in a unified setting the Fucik spectrum of the Laplacian: -△w = au+ - bu- inΩand u = 0 on (?)Ω, as well as the spectrum of the p-Laplacian: -div(|(?)u| p-2(?)u) = λ|u|p-2u and u = 0 on (?)Ω.     

时间分辨红外发射光谱法对自由基反应的研究

在过去的 15年中 ,傅立叶变换红外发射光谱法广泛应用于研究气相自由基反应 .Sloan首先研究了O(1D)的反应 ,随后Leone和Hancock研究了O(3 P)的反应 .此后 ,孔繁敖和朱起鹤等研究了小自由基 ,包括CH、CH2 、CH3 、C2 H3 、C2 H5、C2 H、C3 H3 和C3 H5与O2 、NO、N2 O、NO2 等分子的反应。在红外光谱中观察到各个反应的初生产物和初步反应通道 ,和从头算的理论研究结合起来 ,这些反应的机理已基本弄清 .     

原子的吸收光谱和发射光谱的演示

介绍了利用光学多道分析仪和投影仪在课堂上实时演示原子的吸收光谱和发射光谱的实验方法。     

Weighted oscillator strengths and lifetimes for the S IX and S X spectra

The weighted oscillator strengths (gf) and the lifetimes presented in this work were carried out in a multi configuration Hartree-Fock relativistic (HFR) approach. In this calculation, the electrostatic parameters were optimized by a least-squares procedure, in order to improve the adjustment to experimental energy levels. This method produces gf-values that are in better agreement with intensity observations and lifetime values that are closer to the experimental ones. In this work, we presented all the experimentally known electric dipole S IX and S X spectral lines.     

正常金属/超导/正常金属双垒隧道结中的量子相干输运

考虑到量子相干效应和界面散射效应 ,利用 L ambert理论模型 ,计算正常金属 /绝缘层 /超导 /绝缘层 /正常金属双垒隧道结中的准粒子输运系数和隧道谱。研究表明 :( 1)所有的准粒子输运系数和电导谱在超导能隙之上都随能量作周期性振荡 ,其振荡周期依赖于超导层的厚度 ;( 2 )在超导能隙之上 Andreev反射系数随能量呈现周期性消失现象 ;( 3)在绝缘层势垒强度取很大的隧道极限下 ,超导层中会形成一系列的准粒子束缚态 ,其位置由量子化条件决定 ;( 4)界面散射效应不仅能压低各子能隙电导峰 ,还能使子能隙电导峰劈裂为两个峰。     

码分复用数字音频水印嵌入方案

结合人耳听觉特性，用扩频方法在音频信号中的听觉不敏感区域嵌入多路数字水印，从而实现码分复用．在对嵌入信息的检测中，除了少量系统参数外，数字水印的提取不需要原始信号，并且毋需精确同步．实验表明，该水印具有很好的隐蔽性；尤其是对常见攻击，MP3编码具有良好的稳健性．     

Load-Carrying Capacity of Circular Plates Made of a Fiber-Reinforced Composite

The load-carrying capacity of circular plates made of a fiber-reinforced composite and loaded with axisymmetric transverse forces under axisymmetric boundary conditions is investigated. The plates can be freely supported or clamped along their contour. To the known yield condition used, in the plane of main bending moments, there correspond irregular hexagons, which depend on the mechanical properties of composite constituents and some characteristic geometrical parameters. It is shown that, depending on the ratio of ultimate radial and circumferential bending moments, in the plastic state, the circular plates (the central part of the clamped plates) take the form of a cone or a frustum of cone. For each of the cases, the limit load is found, which is a function of the above-mentioned mechanical parameters. The statically allowable fields of bending moments and the corresponding allowable fields of deflection rates are determined. The solutions found are exact. Special cases for the freely supported plates are analyzed, and the results obtained are presented in the form of graphs.__________Translated from Mekhanika Kompozitnykh Materialov, Vol. 41, No. 2, pp. 177–192, March–April, 2005.     

红外光谱分析仪管理、使用中的一点体会

主要就多年来自己在红外光谱分析仪管理和使用中的一些体会进行总结 .科学管理、积极推广 ,提高仪器的使用率 ;精心设计实验内容 ,培养学生解谱能力 ;不断学习新技术、新方法 ,努力提高自身水平 ,充分发挥科学仪器在教学、科研及科技开发工作中的作用 .