Cl/HN3/I2全气相化学激光体系的化学动力学模拟计算

 对Cl/HN₃/I₂产生NCl(a)/I激光的过程进行了化学动力学计算，主要考察了Cl,HN₃和I₂的初始粒子数密度及其配比对小信号增益系数的影响。结果发现,当温度为400K, 初始Cl粒子数密度为1×10¹⁵，1×10¹⁶和1×10¹⁷cm^-3时,小信号增益系数分别达到1.6×10^-4,1.1×10^-3和1.1×10^-2cm^-1，获得最佳小信号增益系数的HN₃和I₂的初始粒子数密度分别为初始Cl粒子数密度的1～2倍和2%～4%。同时，对Cl，HN₃和I₂配比对小信号增益系数和增益持续时间的影响进行了讨论。     

非均匀网格时域伪谱算法在超宽带技术中的应用

 与传统时域有限差分算法相比，采用以伪谱方法离散Maxwell微分方程为基础的时域伪谱(PSTD)算法计算大的电尺度电磁场时域问题，将大大提高计算效率，降低内存需求。为了拓宽PSTD算法的应用，近年来，基于网格插值方法的非均匀时域伪谱算法得到了发展。研究的重点是算法中非均匀网格技术的实现及其在时域瞬态脉冲电磁场模拟和高功率超宽带脉冲技术方面的应用。以高斯脉冲为激励源，用该算法计算了多层介质的反射和透射，并通过超宽带脉冲穿墙实验对这一方法的应用进行了验证。模拟和实验结果具有较好的一致性。     

超短脉冲贝塞尔光束的非近轴效应对传输的影响

 对超短脉冲贝塞尔光束在近轴近似和非近轴情况下自由空间中的传输作了研究。结果表明，其空间波形在传输中保持贝塞尔形状不变，不受非近轴效应影响；然而当空间参数较大时，非近轴效应影响超短脉冲贝塞尔光束的时间波形。     

Synthesis of 2-Acyl-2H-1,2,3-diazaphospholes and Their Diels-Alder Reaction with Cyclopentadiene

2H-1,2,3-Diazaphospholes 3a-3h were prepared from various ketone acylhydrazones and phosphorus trichloride in the presence of triethylamine. Compounds 3 underwent feasible hetero-Diels-Alder reactions with cyclopentadiene to afford the respective anellated [1,2,3]diazaphospholes 4a--4d as well as 4a‘--4d‘ in moderate yields. The endo rule in the reaction was observed under kinetic control conditions.     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Regioselective Synthesis of Multi-substituted Phenylselenomethyl Isoxazolines

A mild, regioselective 1, 3-dipolar cycloaddition protocol for the preparation ofphenylselenomethyl isoxazolines through substituted allyl phenyl selenides and nitrile oxides wasreported.     

Direct Observation of Non-covalent Complexes for Phosphorylated Flavonoid-protein Interaction by ESI

Diethyl flavon-7-yl phosphate was synthesized by modified Atheron-Todd reaction. The result of ESI shows that the phosphated flavonoids possess stronger binding affinities toward proteins such as myoglobin, insulin and lysozyme and are easier to form the non-covalent complexes with them.     

Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester

A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity.     

在几何和参数上表示同一条曲线的两条有理NURBS曲线的权与控制顶点之间的关系

The paper discusses the relationship between weights and control vertices of two rational NURBS curves of degree two or three with all weights larger than zero when they represent the same curve parametrically and geometrically, and gives sufficient and necessary conditions for coincidence of two rational NURBS curves in non-degeneracy case.     

铬（Ⅵ）—DBC—HNO3催化动力学光度法测定痕量铬（Ⅵ）

在硝酸介质中，痕量铬(Ⅵ)能灵敏的催化氧化DBC褪色。研究了反应的最佳条件，建立了测定痕量铬(Ⅵ)的新方法。检出限可达10^-9g／ml，测定范围为0．12--0．7μgCrC(Ⅵ)／10ml，方法简便、灵敏、快速、准确。用于测定水中的痕量铬(Ⅵ)，获得了满意的结果。