分子阻障内旋转的配分函数

本文用WIGNER-KIRKWOOD微扰展开法来推导分子阻障内旋转配分函数的近似表示式,准确到h[2]项,所得公式只包含两个参量(即分子自由旋转配分函数Qf和势垒高度UO与kT之比值)并可用BESSEL函数来表示,数值计算结果表明,在内旋转转动惯量较大,温度较高这一实用上最为重要的范围内,根据本文中所得公式,对任意的Qf值和U0/kT值,可直接算得阻障势能所产生的熵的修正值(Sir-Srir)/k,比用数值求解法较为简单而准确,如计及微扰展开的高次项,还可以在整个温度范围内取得良好的数值结果。不仅如此,本文所得出的解析公式容易推广到多维运动的情况中去,因此较PITZER的数值求解法具有更普遍的意义。     

钴(II)与色氨酸极谱催化前波的研究

对钴(II)离子与色氨酸在H~3BO~3-NaOH(pH=9)缓冲底液中的极谱催化前波进行了形成条件、吸附性能和电极还原过程的研究。     

Phosphoinositide-binding interface proteins involved in shaping cell membranes

The mechanism by which cell and cell membrane shapes are created has long been a subject of great interest. Among the phosphoinositide-binding proteins, a group of proteins that can change the shape of membranes, in addition to the phosphoinositide-binding ability, has been found. These proteins, which contain membrane-deforming domains such as the BAR, EFC/F-BAR, and the IMD/I-BAR domains, led to inward-invaginated tubes or outward protrusions of the membrane, resulting in a variety of membrane shapes. Furthermore, these proteins not only bind to phosphoinositide, but also to the N-WASP/WAVE complex and the actin polymerization machinery, which generates a driving force to shape the membranes.     

单取代苯的多重散射Xα研究

多重散射Xα方法讨论了氟苯、苯胺、硝基苯和苯腈的电离能、π轨道的电荷分布、π轨道的系数及等值图形. 表明多重散射Xα方法的波函数和电荷分布在描述取代苯活化位置方面存在某种局限性, 讨论了改善的可能途径.     

Exact Solutions of Covariant Wave Equations with a Multipole Source Term on Curved Spacetimes

A formalism is presented for calculating exactsolutions of covariant inhomogeneous scalar and tensorwave equations whose source terms are arbitrary ordermultipoles on a curved background spacetime. The developed formalism is based on the theory ofthe higher-order fundamental solutions for wave equationwhich are the distributions that satisfy theinhomogeneous wave equation with the corresponding order covariant derivatives of the Dirac deltafunction on the right-hand side. Like the classicalGreen's function for a scalar wave equation, thehigher-order fundamental solutions contain a direct termwhich has support on the light cone as well as a tailterm which has support inside the light cone. Knowinghow to compute the fundamental solutions of arbitraryorder, one can find exact multipole solutions of wave equations on curved spacetimes. Wepresent complete recurrent algorithms for calculatingthe arbitrary-order fundamental solutions and the exactmultipole solutions in a form convenient for practical computations. As an example we apply thealgorithm to a massless scalar wave field on aparticular Robertson-Walker spacetime.     

一个新的用于反应散射计算的L^2平动基函数集合

本文通过构造新的L^2平动基函数集合改进了Shima-Baer方法.新集合中不再含有任何人工可调参数,取而代之的是反应体系的分子特性常数.由于在平动基函数中含有在非经典区域内的高度衰减因子,从而大大提高了反应几率对平动基函数展开的收敛速度.对共线交换反应H+H~2→H~2+H的计算结果表果,对平均基函数展开的收敛速度已接近包含畸变势的计算结果.改进后的Shima-Baer方法计算量明显降低.     

Simulating the Performance of Michelson- and Sagnac-based Laser Interferometric Gravitational Wave Detectors in the Presence of Mirror Tilt and Curvature Errors

We model the behaviour of single-bounce delay-line dual recycled Sagnac-based interferometer and compare its performance with that of single-bounce Michelson-based system. Geometric imperfections such as mirror tilt and curvature mismatch can strongly influence the performance of the Sagnac device due to the inherently smaller free spectral range (FSR) and higher order mode spacing. This leads to a greater number of higher order modes near, or within the signal band in the signal recycling cavity of the instrument. The important consequence of that is, in general, a greater sensitivity of a Sagnac system to nonideal parameters and imperfections of various kind affecting the performance of a real interferometer. A number of optical configurations have also been examined numerically to determine the best possible optical arrangement, in the presence of such geometric imperfections. We show that there is an optimum choice for the nominal radius of curvature of the end mirrors which results from balancing the loss due to mirror tilt against that due to curvature mismatch.     

分光光度法工作曲线不符线性关系的探讨 II: 关于在等色点波长测量

光度法工作曲线不成线性关系的情况多数是由体系存在逐级配合物所致, 为获得线性关系, 有人提出在两逐级配合物的主要等色点波长测量, 认为这样可以避免同时生成第二配合物的影响, 但没有深入的理论分析。本文通过实验与理论分析, 证明此法在多数情况下仅可改善线性关系, 但不能得到直线, 经进一步研究, 找到了这个问题的另外解决办法。     

C60笼内内陷粒子的运动

研究C60笼内内陷粒子的量力力学运动, 导出运动能量与波函数, 以内陷CO分子为例做了计算, 解释了分子对微波的吸收现象。     

关于一类波方程的非线性本征值问题的注记

本文推广[1]中关于问题[Ⅰ] 的无穷多对本征值,本征函数存在性定理到p>2的情形.当p=2时,所考虑的空间是Hilbert空间,可利用相应线性算子的本征函数展开;当p>2时,我们的工作空间是Banach空间.我们利用空间L~p和其对偶空间L~p(?)上的Hausdorff-Young不等式对泛函数估值,从而证明了相应的定理.