用于产生瞬态物种的脉冲放电及其光谱探测的分子束装置

建立了一套用于产生瞬变物种的脉冲高压放电分子束装置，以N2气为例，对高压脉冲放电过程和整个荧光采集系统的工作效率进行了研究，从N2气的振动光谱中得到其激发态的振动温度为2257K。     

多维树枝状有机分子的双光子吸收特性

利用响应理论方法,研究了新近合成的以二-(苯乙烯基)苯为主干的多分枝有机物的双光子吸收特性.结果表明这些多维有机分子显示了较好的双光子吸收特性,其中A-π-A型的有机分子具有较大的双光子吸收截面,进一步说明了到底是对称型的还是不对称型的有机分子具有大的双光子吸收截面还与分子的π中心有关.     

多心理账户下机构投资者的风险优化研究

从决策有限理性角度，引入行为金融理论于机构投资风险优化系统，对多心理账户条件下机构投资的风险优化设计进行了研究。以Friedman和Savage之谜为释例，对机构投资风险优化中的诸多非标准金融异像进行了解释。以Shefrin和Statman行为证券组合理论为核心，建立了多心理账户条件下机构投资的风险优化模型，为机构投资的风险优化实践提供了一种量化分析工具。     

广义多目标minmax问题的最优性条件和极大熵方法

本文讨论了广义多目标minmax问题的最优性条件。利用极大熵逼近函数，研究了广义多目标minmax；问题的逼近问题，在较弱的条件下，证明了由极大熵逼近函数导出的多目标逼近问题的临界点的任一极限点均为原广义多目标minmax问题的临界点。     

Experimental Creation of Entanglement Using Separable States

We experimentally demonstrate that the entanglement can be created on two distant particles using separable states. We show that two working particles can share some entanglement, while one ancilla particle always remains separable from the two working particles during the experimental evolution of the system. Our experiment can be viewed as a benchmark to illustrate the idea that no prior entanglement is necessary to create entanglement.     

重新初始化的LS方法跟踪二维可压缩多介质流界面运动

 用非耦合求解方法计算Level Set函数方程与流体力学方程组，应用重新初始化的Level Set函数确保距离函数性质，流体力学方程组采用二阶精度多介质流波传播差分格式计算，重新初始化方程采用五阶WENO格式计算。并给出了二维可压缩多介质流界面运动的计算结果。     

配合物氧化还原反应中的电子迁移轨道

研究了配合物氧化还原反应中的过渡态配合物结构 ,电子迁移轨道及反应速率。     

Au(111)上烷烃硫醇SAMs表面应力的理论研究

应用已建立的关于金属表面吸附层中表面应力的统计热力学理论 ,计算了Au(111)上烷烃硫醇SAMs的表面应力及其与烷烃硫醇链长、吸附覆盖度的定量关系 .计算结果与实验相符 ,较好地解释了Berger等人的实验结果 ,特别是解决了在表面应力符号性质上理论与实验的矛盾 .在表面吸附层应力的多种物理起源中 ,通过底物的分子间作用力有着决定性的贡献 ,揭示了分子的吸附能间接地起着重要作用 .这与阴离子化学吸附体系Cl-/Au(111)的有关研究结果相同 .     

Preparation and Selectivity of Molecularly Imprinted Polymer Coating on the Micro Pore Membrane of Polytetrafluoroethylene

In order to obtain mechanically stable membrane for practical application, the imprinted polymer was synthesized in the pores of polyfluoromembrane, the binding and transport ability of the membrane were studied.     

Dissociative Chemisorption of an H2（v,j） Molecule on Rigid Ni （100） Surface： Dependence on Surface Topologies and Initial Rovibrational States of the Molecules

The H2(v,j) Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of an H2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring-Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies. The physical mechanisms underlying the results and quantum effects are discussed.