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.     

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.     

A Continuation Method of Parameter Inversion for Non-Equilibrium Convection-Dispersion Equation

Based on the homotopy mapping, a globally convergent method of parameter inversion for non-equilibrium convection-dispersion equations （CDEs） is developed. Moreover, in order to further improve the computational efficiency of the algorithm, a properly smooth function, which is derived from the sigmoid function, is employed to update the homotopy parameter during iteration. Numerical results show the feature of global convergence and high performance of this method. In addition, even the measurement quantities are heavily contaminated by noises, and a good solution can be found.     

非负矩阵与有向图的谱半径

本文给出非负矩阵的谱半径的上界、下界,由此给出有向图的谱半径的界.     

一个强极限定理

设是可列非齐次马氏链，本文通过利用［１］中提出的在Ｗｉｅｎｅｒ概率空间的一种实现，而给出了一个对任意可列非齐次马氏链普遍成立的强极限定理。     

非空交定理及其应用

本文得到了广义区间空间中几个参数型非空交定理，并用此结果证明了一些新型极大极小定理，截口定理，重合定理，以及变分不等式解的存在性定理。本文中的结果包含（１，３，５－１２，１４－１６）中相应结果。     

飞行管理问题的实时算法

本文讨论了在一定区域空间内进行飞行管理避免飞机相撞的模型，提出了直接搜索法和非线性规划（SUMT）法两种解法，并将两种方法有机结合，得出的算法在486微机上计算时间小于10秒，误差不超过0.01度，完全符合问题的要求。本文接着给出四种不同情况分别用两种方法求解，进行比较检验，取得很好的吻合，充分说明了模型3的可靠性。本文还对模型的误差进行分析并对模型进行推广。     

The Geometric Construction of WZW Effective Action in Noncommutative Manifold

By constructing close-one-cochain density Ω^12n in the gauge group space we get the Wess-Zumino-Witten (WZW) effective Lagrangian on high-dimensional noncommutative space.Especially consistent anomalies derived from this WZW effective action in noncommutative four-dimensional space coincide with those obtained by L.Bonora etc.(het-th/0002210).     

非共沸制冷剂R417A在水平光滑管内的沸腾传热

应用一种快速、准确的隐式格式迭代数值计算方法 ,对非共沸制冷剂 R41 7A在水平光滑管内的蒸发过程进行了数值模拟。通过应用纯质的传热公式计算后与实验值相比较 ,数值计算结果高于实验值。     

关于一类非平衡交互作用粒子系统的相变

本文利用一维格点上非平衡Glauber＋Kawasaki过程所对应的Hgdrodynamic宏观方程，刻画了过程何时从一非渐近稳定态开始分离，该非渐近稳定态对应于一具有均值为常数的乘积测度，证明了时间标度在一定范围时，过程仍逗留在该非渐近稳定态．而时间标度超出该范围时，过程向渐近稳定态分叉，即系统发生相变．