Studies on basicity of alkali metal catron exchanged β and X zeolites by pyrrole-IR spectroscopy

The strength of basic sites has been measured by pyrrole-IR on alkali metal cation exchanged β and X zeolites, as well as NaOH loaded Naβ. The influence of cation type and the structure of zeolites on their basicity has been studied. The acidic and basic properties of the samples were investigated by NH3-TPD and isopropanol reaction. It was shown that the strength of basic sites on samples could be characterized by the shift of vNH band in the pyrrole-IR spectra. The framework oxygen charges were calculated from the Sanderson electronegativity. The changes in basic properties with various alkali metal cation are consistent with the changes of local oxygen charges of the zeolite framework.     

An investigation of the Al2O3-CdSe interface in accumulation

The Al₂O₃−CdSe interface of a thin-film transistor is investigated in the frequency range 30 Hz-30 kHz under weak depletion and accumulation. The surface states are, most likely, located in the insulator Al₂O₃ with a concentration varying from 4·10¹⁸ to 10¹⁹ cm⁻³ eV⁻¹. The surface states have a negligible influence on the thin-film transistor operation.     

Reducing systems of linear differential equations to a passive form

In this paper, an application of the Riquer-Thomas-Janet theory is described for the problem of transforming a system of partial differential equations into a passive form, i.e., to a special form which contains explicitly both the equations of the initial system and all their nontrivial differential consequences. This special representation of a system markedly facilitates the subsequent integration of the corresponding differential equations. In this paper, the modern approach to the indicated problem is presented. This is the approach adopted in the Knuth-Bendix procedure [13] for critical-pair/completion and then Buchberger's algorithm for completion of polynomial ideal bases [13] (or, alternatively, for the construction of Groebner bases for ideals in a differential operator ring [14]). The algorithm of reduction to the passive form for linear system of partial differential equations and its implementation in the algorithmic language REFAL, as well as the capabilities of the corresponding program, are outlined. Examples illustrating the power and efficiency of the system are presented.     

Optimal tristance anticodes in certain graphs

For z₁,z₂,z₃∈Zⁿ, the tristance d₃(z₁,z₂,z₃) is a generalization of the L₁-distance on Zⁿ to a quantity that reflects the relative dispersion of three points rather than two. A tristance anticodeA_d of diameter d is a subset of Zⁿ with the property that d₃(z₁,z₂,z₃)?d for all z₁,z₂,z₃∈A_d. An anticode is optimal if it has the largest possible cardinality for its diameter d. We determine the cardinality and completely classify the optimal tristance anticodes in Z² for all diameters d?1. We then generalize this result to two related distance models: a different distance structure on Z² where d(z₁,z₂)=1 if z₁,z₂ are adjacent either horizontally, vertically, or diagonally, and the distance structure obtained when Z² is replaced by the hexagonal lattice A₂. We also investigate optimal tristance anticodes in Z³ and optimal quadristance anticodes in Z², and provide bounds on their cardinality. We conclude with a brief discussion of the applications of our results to multi-dimensional interleaving schemes and to connectivity loci in the game of Go.     

镧系金属一氢化物有效芯势研究

采用Cundari和Stevens等推导的有效芯势对镧系金属一氢化物进行了理论计算，以探讨镧系金属元素与氢的相互作用。结果表明所有镧系金属一氢化物基态时理论上是稳定的，最稳定的是SmH,最不稳定的是DyH;键长计算结果显示，基态时镧系金属一招兵买马花物有独立王国 收缩现象发生；红外振动频率理论计算值与实验结果一致；成键轨道中，金属原子轨道的贡献主要是s轨道和d轨道：从CeH至ErH(GdH)例外）随着外层电子的增加s轨道成分逐渐增大d轨道成分逐渐减小；从TmH和LuH（包括GdH)，成键轨道中金属原子轨道的贡献主要是d轨道，约为90％；约大多数镧系金属一氧化物的成键轨道中金属原子轨道f成分小于1％。     

理论研究C8H80-（H2O）n（n=1～5）团簇

应用密度泛函B3LYP／6—31＋G（d，p）方法对C8H80-（H2O）n（n=1～5）团簇这种弱相互作用体系进行垒自由度能量梯度优化，得到该系列团簇的稳定蛄构．计算结果表明。在该系列二元团簇中，一方面水分子数目的多少对苯基丙酮分子的结构影响很小，另一方面由于苯基丙酮分子的存在，破坏了团簇中水分子的对称性结构，在团簇内部极力形成O—H—O这样弯曲的有方向性的氢键．对苯基丙酮-水这样结构复杂的团簇，指认光谱的难度非常大，本文只讨论了与C=O有关的振动峰和水分子的对称伸缩振动的最强峰．     

Influence functions and efficiencies of the canonical correlation and vector estimates based on scatter and shape matrices

In this paper, the influence functions and limiting distributions of the canonical correlations and coefficients based on affine equivariant scatter matrices are developed for elliptically symmetric distributions. General formulas for limiting variances and covariances of the canonical correlations and canonical vectors based on scatter matrices are obtained. Also the use of the so-called shape matrices in canonical analysis is investigated. The scatter and shape matrices based on the affine equivariant Sign Covariance Matrix as well as the Tyler's shape matrix serve as examples. Their finite sample and limiting efficiencies are compared to those of the Minimum Covariance Determinant estimators and S-estimator through theoretical and simulation studies. The theory is illustrated by an example.     

On the realization of Riemannian symmetric spaces in Lie groups

In this paper we give a realization of some symmetric space G/K as a closed submanifold P of G. We also give several equivalent representations of the submanifold P. Some properties of the set gK∩P are also discussed, where gK is a coset space in G.     

New examples of Osserman metrics with nondiagonalizable Jacobi operators

Explicit examples of Osserman 4-manifolds with exactly two distinct eigenvalues of the Jacobi operators, α and β=4α≠0, are given. The former has multiplicity two and is a double root of the minimal polynomial of the Jacobi operators.