轮图和多轮图的生成树的计数

本文应用计算生成树个数的有向图方法、分块矩阵的行列式计算法以及常系数线性递归方程的解法 ,计算得到轮图和多轮图的生成树个数的表达式 (显式或递推式 )     

植物抗病毒剂的探寻ⅩⅣ--1,5-二丙酸酯-1,3,5-均三嗪-2,4-二酮的合成

通过对氢化－1，3，5－均三嗪－2，4－二酮衍生物抗病毒活性QSAR计算，预测标题化合物具有较好抗病毒活性，由氢化－1，3，5－均三嗪－2，4－二酮、丙烯酸甲酯和乙二醇衍生物经三步反应合成这些化合物，新化合物经^1H NMR，IR，MS确认结构。     

螺旋慢波电路高频特性的三维计算模拟

 使用MAFIA软件对螺旋慢波线高频特性进行计算模拟，避免解析理论中的假设处理，提高了计算精度，与实验测试值相比色散特性的平均模拟误差为1%左右，耦合阻抗的平均误差为0.2%左右；并对不同建模方法下的不同模拟方法在计算时间和精度上作了比较，证明了准周期边界条件的模拟方法是一种在实际工程应用上同时满足精度与效率要求的模拟方法。     

Mechanistic Studies of the Radical S‐Adenosylmethionine Enzyme DesII with TDP‐D‐Fucose

DesII is a radical S‐adenosylmethionine (SAM) enzyme that catalyzes the C4‐deamination of TDP‐4‐amino‐4,6‐dideoxyglucose through a C3 radical intermediate. However, if the C4 amino group is replaced with a hydroxy group (to give TDP‐quinovose), the hydroxy group at C3 is oxidized to a ketone with no C4‐dehydration. It is hypothesized that hyperconjugation between the C4 C? N/O bond and the partially filled p orbital at C3 of the radical intermediate modulates the degree to which elimination competes with dehydrogenation. To investigate this hypothesis, the reaction of DesII with the C4‐epimer of TDP‐quinovose (TDP‐fucose) was examined. The reaction primarily results in the formation of TDP‐6‐deoxygulose and likely regeneration of TDP‐fucose. The remainder of the substrate radical partitions roughly equally between C3‐dehydrogenation and C4‐dehydration. Thus, changing the stereochemistry at C4 permits a more balanced competition between elimination and dehydrogenation.     

Inhomogeneous fluids of colloidal hard dumbbells: fundamental measure theory and Monte Carlo simulations

Recently, a density functional theory for hard particles with shape anisotropy was developed, the extended deconvolution fundamental measure theory (edFMT). We apply edFMT to hard dumbbells, arguably the simplest non-convex shape and readily available experimentally in the form of colloids. We obtain good agreement between edFMT and Monte Carlo simulations for fluids of dumbbells in a slit and for the same system under gravity. This indicates that edFMT can be successfully applied to nearly all colloidal shapes, not just for the convex shapes for which edFMT was originally derived. A theory, such as edFMT, that allows a fast and general way of mapping the phase behavior of anisotropic colloids, can act as a useful guide for the design of colloidal shapes for various applications.     

Correlations of two-dimensional super-paramagnetic colloids in tilted external magnetic fields

We outline the formalism of liquid integral equation theory for anisotropic interactions in two dimensions and subsequently apply this theory to one-component super-paramagnetic particles exposed to a tilted magnetic field. Inhomogeneous local ordering of the particles is observed for different in-plane directions. The anisotropy of the interaction as well as of the liquid structure is increased by increasing the tilt angle. Furthermore, the particles favour an alignment in the direction of the in-plane component of the magnetic field. For increasing tilt angle, the anisotropy of the structural correlations is qualitatively similar to that of the corresponding solid lattice which is stable at lower temperatures. However, the mean-square displacements behave qualitatively different in the solid and fluid phases as a function of the tilt angle.     

Confined colloidal crystals in and out of equilibrium

Recent studies on confined crystals of charged colloidal particles are reviewed, both in equilibrium and out of equilibrium. We focus in particular on direct comparisons of experiments (light scattering and microscopy) with lattice sum calculations and computer simulations. In equilibrium we address buckling and crystalline multilayering of charged systems in hard and soft slit confinement. We discuss also recent crystalline structures obtained for charged mixtures. Moreover we put forward possibilities to apply external perturbations, in order to drive the system out of equilibrium. These include electrolyte gradients as well as the application of shear and electric fields.     

激光尾流场的2.5维粒子模拟

 用2D3V PIC粒子模拟方法分析了超短脉冲超强激光在稀薄等离子体中激发尾流场的产生过程及电子在尾流场中的加速过程。“前向Raman散射”使得激光脉冲沿传播方向拉长，脉冲的尾部变陡，它导致静电场的相速度和饱和时超热电子的最大动能明显减小，也使得激发尾流场的最佳脉冲宽度变小。     

线性矩阵哈密顿系统的振动性

研究了线性矩阵 Hamilton系统X′=A( t) X + B( t) YY′=C( t) X -A*( t) Y　　 t≥ 0的振动性 .其中 A( t) ,B( t) ,C( t) ,X,Y为实 n× n矩阵值函数 ,B,C为对称矩阵 ,B正定 .借助于正线性泛函 ,采用加权平均法 ,得到了该系统的非平凡预备解的振动性 .这些结果推广、改进了许多已知的结果     

关于最优存贮策略的两点注记

本文统一论述了确定性静态存贮系统的最优存贮策略 ,并将具有数量折扣的经典 EOQ公式推广到了一般的确定性静态存贮系统 ;用机会损失 (后悔值 )概念对随机存贮系统的各种临界比公式进行了统一处理 .