Pentapnictogen heterocyclic monoanions: Structure,stability, and aromaticity

Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X _nY_5-n⁻ (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η⁵-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials.     

非线性光纤方向耦合器孤子动力特性分析

利用变分方法,导出了双曲正割型光孤子在非线性光纤耦合器中传输时满足的动力学方程组,分析了该方程组的平衡点性态,讨论了光孤子的开关特性.指出参数|β|<2π.是能实现完全的开关操作的必要条件.     

烟气中Hg的氧化机理的研究

本文对Ｈｇ与Ｃｌ２在烟气中的氧化反应进行了热力平衡计算和动力学计算。平衡计算的结果表明有ＣＩ元索存在时Ｈｇ的氧化率为１００％，而在相同的条件下动力学计算纺果为Ｈｇ的氧化率在２０％～８０％之间变化，与实验结果吻合。实际的氧化反应是一种超平衡状态，不能达到理想的平衡状态。因此应采用动力学与热力平衡分析相结合的方法研究Ｈｇ在烟气中的反应机理。同时，计算结果显示Ｃｌ含量对Ｈｇ的氧化率的影响很大．     

LD泵浦Nd∶LuVO4/Cr4+∶YAG被动调Q激光器

采用大功率半导体激光器端面泵浦Nd∶LuVO4晶体，利用Cr4+∶YAG晶体作为可饱和吸收元件，实现了1.06 μm激光的被动调Q运转.在泵浦功率为19.1 W时，获得最高平均输出功率为4.58 W，脉冲宽度为84 ns，单脉冲能量为36.6 μJ以及峰值功率为436.2 W的激光脉冲.     

SN方法粒子输运计算程序自动建模关键技术问题研究

在充分调研和分析SN方法粒子输运计算程序自动建模方法的基础上，对建模过程中的模型文件格式识别、属性编辑、空腔处理及自动划分离散网格等关键技术问题进行了研究，并提出了合理可行的解决方法。通过对SNAM程序建模部分功能测试，验证了这些方法的正确性和有效性。This paper presents two approaches to enhance the geometry modeling ability of SN particle transport simulation codes and focus on the key issues that lie in the processing from CAD model to SN code geometry model, e.g. CAD file format support, void modeling, mesh generation and model-editing. SNAM （SN Automatic Modeling system） has been developed as an interface code between commercial CAD software and SN particle transport simmulation codes. The testing results have shown that the algorithm and implementation used in SNAM are efficient and capable of all the necessary processing from CAD model to SN geometry model.     

On bent functions with some symmetric properties

This paper discusses a kind of bent functions that have some symmetric properties about some variables. Section 2 mainly discusses the bent functions symmetric about some two variables and gives the necessary and sufficient condition for these functions. Section 3 gives algebraic expressions of some bent functions.     

2,7-二氯荧光素与蛋白质相互作用的分光光度法研究

首次采用分光光度法研究了模拟生理条件(pH 7.4 Tris-HCl缓冲溶液,离子强度I=0.1)下2,7-二氯荧光素与牛血清白蛋白(BSA)相互作用的情况.研究结果表明:两者相互作用形成稳定的复合物,最大吸收波长为509nm,与2,7-二氯荧光素的最大吸收波长502nm比较,红移了7nm;两者之间主要通过静电引力结合,但并不排除疏水作用力和氢键;两者之间的结合数为32.     

Clifford分析中无界域上正则函数的边值问题

在引入修正Cauchy核的基础上,讨论了无界域上正则函数的带共轭值的边值问题：a(t)Φ (t) b(t)Φ (t) c(t)Φ-(t) d(t)Φ=g(t)．首先给出了无界域上正则函数的Plemelj公式,然后利用积分方程方法和压缩不动点原理证明了问题解的存在唯一性．     

准晶体中八方晶系点群的对称性与矩阵表示

从理论上对准晶体中八方晶系各点群进行了研究.运用八方晶系各点群的极赤投影图,列出了各点群的所有对称操作;填出了固有点群822的群乘表.运用坐标变换和群论在自定义的八方坐标系中,推导出八方晶系点群所有对称操作的矩阵.这32个3×3矩阵的结构是相当简洁的,它们的矩阵元只有5种可能取值:0,±1,±2.其中2是反映八方晶系准晶体所具有的准周期性的特殊无理数.