酶超分子结构化学

单体酶、寡聚酶、多酶体系和酶分子机器是理想的天然模型超分子。本文对这些酶超分子的动力学特性和生物学功能、酶超分子主客体间弱相互作用力、软化学键以及锁钥原理进行了阐述。     

证券投资组合的原理及其应用

利用概率统计原理对证券投资组合能减轻所遇风险带来的损失做了详细的讨论,并介绍了多种证券投资组合方案的选择方式,探讨了相关系数对证券组合风险的影响。     

混凝土梁教学实验中的异常开裂机理探讨

针对钢筋混凝土简支梁剪压破坏性教学实验,在加载临近极限承载力时,梁端上部受压混凝土出现竖向开裂的异常现象,认定混凝土受压区出现拉应力;通过剪跨段上部混凝土应变测试,得到随荷载增加应变由压变拉的试验数据;根据实测应变分布,计算钢筋与混凝土在完全锚固情况下的粘结剪力,并与混凝土对钢筋的实际粘结强度进行比较,得出钢筋与混凝土粘结破坏并产生滑移的结论;认为剪跨段短,上部纵向应变梯度大,滑移引起的钢筋相对伸长在混凝土中产生拉伸效应,是导致剪跨段上部混凝土竖向开裂的主要原因,并提出验证实验方案。     

Randomized unit root processes for modelling and forecasting financial time series: Theory and applications

This paper considers the problems of statistically analysing the levels of financial time series rather than their differences, which are often equivalent to returns and which are traditionally analysed in econometric modelling. This focus on differences is a consequence of the inherent nonstationarity of the levels, and hence analysing the latter requires introducing an alternative framework for modelling nonstationary behaviour. We do this by considering randomized unit root processes, arguing that these can have a natural interpretation in the financial context. The paper thus develops methods for testing for randomized unit roots and for modelling such processes. It then applies these techniques to various financial time series, so as to ascertain their potential usefulness, particularly for forecasting.     

钯碳催化剂在硝基还原和碳碳双键加氢反应中的应用

对常温常压下钯碳催化剂在精细有机合成中的硝基还原和碳碳双键加氢两大类加氢反应进行了初步的探索，２－氯－６－硝基甲苯在钯碳催化剂存在下催化还原，除目的产物外，不生成脱氯副产物。这是一个连串反应，控制反应条件可获得较高的反应选择性。     

InP材料UV激光直接刻蚀研究

利用UV激光的光解剥离(APD)效应,对半导体材料InP进行了直接刻蚀研究,获得了良好的结果。采用波长为308nm,光脉冲宽度20ns的XeCl)准分子激光器,APD刻蚀的光能量密度阈值为390mJ/cm~2;与理论结果相比较,两者具有良好的一致性。同时给出了刻蚀深度与脉冲速率及脉冲时间的实验曲线。     

管路动态对车桥加载系统的影响

本文以车辆轮桥二次调节加载系统为研究对象,建立了考虑管路动态的系统键合图模型。分析研究了管路动态对轮桥二次调节加栽系统性能的影响。通过仿真分析找出了管路液溶、液感、液阻对轮桥加载系统性能的影响规律,为进一步完善和提高车辆轮桥二次调节加载系统性能提供了可靠依据。     

NiB,Ni_2B,Ni_3B原子簇结构及成键特性的DFT研究

用ＤＦＴ方法对ＮｉＢ，Ｎｉ２Ｂ，Ｎｉ３Ｂ二重态和四重态两种多重度的各种可能构型进行高水平的量子化学计算，结果发现Ｎｉ，Ｂ原子所带电荷的正负与原子簇的组成和结构有关，存在较强Ｎｉ，Ｂ的相互作用，Ｎｉ－Ｂ键对ＮｉＢ，Ｎｉ２Ｂ，Ｎｉ３Ｂ分子的稳定性有很大贡献     

Low dipole moment large β electrooptic chromophores based on exocyclic double bond conjugated bridge

Novel low dipole moment (μ) and large first hyperpolarizability (β) electrooptic chromophores have been designed based on the special characteristic of reversed dipole moment in the excited state of exocyclic double bond (ECDB) conjugated bridge by the optimization of the substituted method, and their electronic and second-order nonlinear optical properties have been theoretically investigated by employing the AM1/FF and ZINDO/S-CI approaches. By extending the conjugation length and optimizing the donor/acceptor strength, the oscillator strength of the excited transition that contributes to the molecular nonlinearity can be further enhanced. The designed chromophores possess a larger figure of merit (FOM) than that of 4-N,N-dimethylamino-4′-nitrostilbene (DANS), and lower (<5 D) ground state dipole moment.     

型钢-混凝土粘结机理的探讨

对型钢混凝土结构(SRC结构)中型钢-混凝土的粘结机理及影响粘结性能的主要因素进行了分析和探讨,并从混凝土保护层开裂与否的角度根据粘结力的扩散原理,提出了一种型钢-混凝土粘结强度的计算方法,可为型钢混凝土结构中型钢-混凝土粘结性能的研究及实际设计中粘结强度的计算提供参考.