质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

Improvement of real time diffraction efficiency of NGD holograms by introducing electron donors

Nongelatin dichromated holographic film(NGD) is a new holographic recordingmaterial.Holograms recorded on this material have better environmental stability, higherdiffraction efficiency and stronger real time effect, etc..An experimental study to ascertainthe influence of two electron donors, namely,N,N-dimethylformamide(DMF) and dimethyl-sulfoxide(DMSO),on the real time diffraction efficiency(RTDE) of NGD holograms is car-ried out.The pressence of electron donors not only improves the sensitivity,but also enhancesthe real time effect greatly.RTDE of above 60% at±1 orders of NGD plane transimissiongrating is achieved by introducing electron donors.     

Ionic conductivity of epitactic MBE-grown BaF2 films

We studied parallel conductivities of pure BaF₂ films with thicknesses ranging from 35 to 300 nm, epitaxially grown on Al₂O₃(0 1 2) substrates by molecular beam epitaxy technique. The overall conductivities of the films are found to increase with decreasing thickness. The detailed investigation of the overall conductance as a function of the thickness permits the deconvolution of bulk and boundary effects, the latter being attributed to distinct space charge effects in the interface between BaF₂ film and Al₂O₃ substrate. The (extrinsic) Debye length (λ) is estimated to be about 8 nm at T=593 K, which corresponds to an impurity content of 10¹⁸/cm³ (singly ionized dopant assumed). This is consistent with the fact that we observed a constant boundary contribution for all investigated films (film thickness >4λ). It is also consistent with the Debye length observed in a previous report on CaF₂/BaF₂ heterolayers fabricated by the same technique, in which the low temperature enhancement was also attributed to space charges in BaF₂ [Nature 408 (2000) 946]. Only at low temperatures (below 370 °C), the conductance seems to be influenced by strain effect.     

ASYMPTOTIC BEHAVIOR OF THE DRIFT-DIFFUSION SEMICONDUCTOR EQUATIONS

This paper is devoted to the long time behavior for the Drift-diffusion semi-conductor equations. It is proved that the dynamical system has a compact, connected and maximal attractor when the mobilities are constants and generation-recombination term is the Auger model; as well as the semigroup S(t) defined by the solutions map is differential. Moreover the upper bound of Hausdorff dimension for the attractor is given.     

Essentially normal Hilbert modules and Khomology Ⅲ: Homogenous quotient modules of Hardy modules on the bidisk

In this paper, we study the homogenous quotient modules of the Hardy module on the bidisk. The essential normality of the homogenous quotient modules is completely characterized. We also describe the essential spectrum for a general quotient module. The paper also considers K-homology invariant defined in the case of the homogenous quotient modules on the bidisk. This work is partially supported by the National Natural Science Foundation of China (Grant No. 10525106), the Young Teacher Fund, the National Key Basic Research Project of China (Grant No. 2006CB805905) and the Specialized Research for the Doctoral Program     

Solid codes and the uniform density of fd-domains

By means of further investigation of solid codes,the problem“Is every fd-domain uni- formly dense”proposed by Yuqi Guo,C.M.Reis and G.Thierrin in 1988 is solved in this paper.     

Thermal conductance for single wall carbon nanotubes

We report a theoretical analysis of the phonon thermal conductance, κ(T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100 K, κ(T) of perfect SWCN is found to increase with temperature, approximately, in a parabolic fashion. This is qualitatively consistent with recent experimental measurements where the tube-tube interactions are negligibly weak. When the carbon-carbon bond length is slightly varied, κ(T) is found to be qualitatively unaltered which implies that the anharmonic effect does not change the qualitative behavior of κ(T). Received 12 June 2001     

关于《一类奇异边值问题的正解》的注记

文[4]通过构造反例断言文[1]中定理的必要性证明有误,本文首先指出文[4] 的这个断言不正确,然后对文[4]中定理2.1作了本质性的改进.     

基于目标信息系统学习的多准则决策方法

给出目标信息系统学习的多准则决策方法，建立多准则决策的规则学习模型，讨论该模型的性质。该模型优于Z．Pawlak方法，将规则提取与信息融合为一体。也优于AHP等模型，具有简洁性．通过实例计算，取得了满意结果。     

On semi cover-avoiding subgroups of finite groups

A subgroup H of a finite group G is said to have the semi cover-avoiding property in G if there is a normal series of G such that H covers or avoids every normal factor of the series. In this paper, some new results are obtained based on the assumption that some subgroups have the semi cover-avoiding property in the group.