Density-Functional Theory Calculations of Normal Modes and Raman Intensities for Tetraazaporphin

The structure, harmonic frequencies, and nonresonance Raman intensities for porphin, tetraazaporphin (TAP), and three of its isotopomers are calculated by the density-functional theory of B3LYP/6-31G(d). Scaling of force constants for porphin in nonredundant natural coordinates is performed. The scaling factors obtained were used to predict the force field and normal modes of TAP and three of its isotopomers. Two alternative methods are used to carry out reliable assignment of the TAP frequencies: wavenumber-linear scaling method and frequency-shift method. There is good agreement between the frequencies predicted within the framework of the three methods used. The conservativeness of the out-of-plane B _2g - and B _3g -modes for porphin and TAP is examined. The Raman spectrum for TAP is simulated. A refinement of the assignment of the experimental frequencies for TAP of even symmetry types on the basis of the calculations performed is made.     

On topological properties of the Hartman-Mycielski functor

We investigate some topological properties of a normal functorH introduced earlier by Radul which is some functorial compactification of the Hartman-Mycielski construction HM. We prove that the pair (H X, HMY) is homeomorphic to the pair (Q, σ) for each nondegenerated metrizable compactumX and each denseσ-compact subsetY.     

两指标双F统计过程控制图

当产品质量指标服从二元正态分时,可用T2控制图与Λ控制图联合判断产品生产的过程是否处于受控状态。本文利用T2统计量与F统计量、Λ统计量与F统计量之间的关系,得到了两指标情形下两类基于F分布统计量的统计过程控制图,简称双F统计过程控制图,并给出了控制图应用实例。     

ON THE SINGULAR DIRECTIONS OF VALUE DISTRIBUTION OF HOLOMORPHIC CURVES IN P^n（C）

This article proves the existence of singular directions of value distribution theory for some transcendental holomorphic curves in the n-dimensional complex projective space Pn(C). An example is given to complement these results.     

The π-π-theorem for manifold pairs with boundaries

The surgery obstruction of a normal map to a simple Poincaré pair (X, Y) lies in the relative surgery obstruction group L _*(π ₁(Y) → π ₁(X)). A well-known result of Wall, the so-called π-π-theorem, states that in higher dimensions a normal map of a manifold with boundary to a simple Poincaré pair with π ₁(X) ? π ₁(Y) is normally bordant to a simple homotopy equivalence of pairs. In order to study normal maps to a manifold with a submanifold, Wall introduced the surgery obstruction groups LP _* for manifold pairs and splitting obstruction groups LS _*. In the present paper, we formulate and prove for manifold pairs with boundary results similar to the π-π-theorem. We give direct geometric proofs, which are based on the original statements of Wall’s results and apply obtained results to investigate surgery on filtered manifolds.     

纵横扩张的优化

得到了最小折数纵横扩张的判别准则．针对4-正则图的平面嵌入的纵横扩张的特殊性，给出了它的最小折数纵横扩张判别准则．     

关于算子方程AX=XAX与AX=XA=XAX

用A的不变子空间作参数，给出了算子方程AX＝XAX的全部解。当A是单射或稠值域时，或者当A是正规算子时，给出了算子方程AX＝XA＝XAX的全部解。我们还给出正规算子X是算子方程AX＝XZ＝XAX的解的充分必要条件。     

半参数方差误差模型的估计

本文综合近邻权函数法及最小二乘法，用两阶段最小二乘估计的方法得到了半参数EV模型中参数的估计量及其强相合性，渐近正态性。同时也得到了非参数函数的估计量及其强相合性，一致强相合性。     

Conditional expectation of integrands and random sets

The conditional expectation of integrands and random sets is the main tool of stochastic optimization. This work wishes to make up for the lack of real synthesis about this subject. We improve the existing hypothesis and simplify the corresponding proofs. In the convex case we especially study the problem of the exchange of conditional expectation and subdifferential operators.     

Bohr-Mottelson转动谱公式参数之间的新关系式

在利用Harris两参数公式研究Bohr-Mottelson转动谱公式参数之间的关系的基础上,改用Harris三参数公式,并由此提出了Bohr-Mottelson转动谱公式参数之间的新关系式,进而用I(I+1)四参数展开式计算了A～60,80,130,140,150,190区超形变偶偶核的基带和锕系和稀土区正常形变核基带,讨论了参数之间的关系,发现新关系式与实验较好地符合.