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21.
讨论L-型域上Toeplitz C*-代数C*(Ω)所对应广群G的拓扑结构.用Euclid空间加法闭子群的分类方法对G的单位空间M的拓扑结构进行了详细刻画。  相似文献   
22.
The dynamic viscoelastic response of the two-phase polymer blend systems shows the characteristics of the thermorheologically complex materials. In this paper theoretical equations for describing the dynamic viscoelastic response of such polymer blend systems have been established by means of the mechanical modeling technique. The dynamic viscoelastic response of the blend systems at any blend composition can be predicted theoretically by using the equations established, provided that the dynamic viscoelastic response of the two pure components and the mechanical model parameters are known in advance. Thus, we provide an effective method for studying the dynamic mechanical properties and the molecular relaxation characteristics of the two-phase polymer blend systems.  相似文献   
23.
The pattern of high mobility group proteins 1 and 2 (HMG1,2) interaction with the 5'-flanking sequence of the human β-globin gene has been analyzed by scanning tunnelling microscopy (STM). A 200 bp negative regulatory region in the 5'-flanking sequence of the human β-globin gene can be folded by HMG proteins 1 and 2 into a circular structure (diameter 70±6) with a linear tail which seems to be a left-handed double helix structure.  相似文献   
24.
Libraries of peptide-like compounds are attractive sources of binding agents for proteomics applications. The synthesis of oligomeric combinatorial libraries of peptidomimetics is usually more straightforward than the creation of large libraries of more "drug-like" molecules. Herein we report synthesis of peptoids on soluble high loading Noncross-linked polystyrene. The synthesis route consists of: (a) preparation "soluble wang resin" from non-crosslinked polystyrene and 4-hydroxybenzyl alcohol via ether linkage, (b) an esterification step performed by the addition of bromoacetyl bromide to "soluble wang resin" and (c) a nucleophilic displacement of bromide with a primary amine.  相似文献   
25.
1. INTRODUCTION Microbial pollution will bring about various problems in industry and other vital fields, such as causing decomposing of materials, harming people抯 health. In order to reduce these problems, new antibacterial materials have been demanded. Recently, much attention has been paid to inorganic materials including zinc oxide [1~4]. These inorganic antibacterial materials are now substituting for organic materials to avoid releasing noxious organic molecules harmful to humans;…  相似文献   
26.
The 1205 classical isomers of fullerene C58, as well as one quasi-fullerene C58 isomer with a heptagonal ring (labeled as Cs:hept) have been investigated by the quantum chemical methods PM3, HCTH/3-21G, and B3LYP/6-31G(d). Isomer C3v:0001, which has the lowest number of adjacent pentagons, is predicted to be the most stable isomer, but the quasi-fullerene isomer Cs:hept is only 2.50 kcal mol-1 higher in energy. Systematic investigations of the electronic properties of C3v:0001 and Cs:hept find that the C3v:0001 isomer has high vertical electron affinity (3.19 eV). The nucleus-independent chemical shifts (NICS) value at the center of Cs:hept (-5.1 ppm) is more negative than that of C60 (-2.8 ppm). The NICS value at the center of the heptagonal ring in Cs:hept (-2.5 ppm) indicates weakly aromatic character. In contrast, the C58(6-) and C58(8-) ions of the C3v:0001 and Cs:hept geometries possess large aromatic character, with NICS values between -14.0 and -26.2 ppm. To clarify the thermodynamic stabilities of C58 isomers at different temperatures, the entropy contributions are taken into account on the basis of the Gibbs energy at the B3LYP/6-31G(d) level. The C3v:0001 isomer prevails in a wide range of temperatures, and the Cs:hept isomer is also an important component around 2800 K. The IR spectra of C58 isomers are simulated to facilitate experimental identification of different isomers. In addition, the electronic spectra and the second-order hyperpolarizabilities are predicted by ZINDO and the sum-over-states model. The static second-order hyperpolarizability of the C3v:0001 isomer is 96.5 % larger than that of C60, and its second-order hyperpolarizabilities at external field frequencies are at least nine times larger than those of C60.  相似文献   
27.
Waugh-型镍钼杂多酸的量子化学计算   总被引:1,自引:0,他引:1  
采用半经验INDO法,完成了Waugh-型镍钼杂多酸(NH44)6〔NIMO9O32〕·6H2O的量子化学计算,得到146个成键轨道和78个反键轨道,轨道能级,电荷和键序等数据。通过对这些数据的分析,表明杂多酸分子中端氧和Ni都可能为化学活性中心,各原子轨道在分子轨道中都占有一定比例,其HOMO和LUMO能级皆为负值,其体系具有进一步接受电子的能力。这些结论与实验事实一致。  相似文献   
28.
An X-band EPR study on a Na_3(CrMo_6O_(24)H_6)·8H_2O single crystal diluted by its isomor-phic compound Na_3(AlMo_6O_(24)H_6)·8H_2O at room temperature is reported. Using the least squares-fitting method to simulate the EPR data for principal planes, the Hamiltonian parameterswere obtained. The principal values of the g tensors are g_(ZZ) = 1.904, g_(XX)= 1.973, g_(YY)=1.933. The zero field splitting tensor parameters are D = 0.275 cm~(-1), E = 0.05 cm~(-1). The fielddependence of Cr~(3+) energy levels with field at different angles from the principal axes whenthe field is along the principal planes is calculated based on these experimental parameters.The isofrequency plots of calculated field vs. angle are also shown. They agree well with theexperimental results.  相似文献   
29.
The phenomenon of migration of the silyl groups from α-oxygen to β-oxygen in sodium aldol reaction was observed for the first time in this paper.  相似文献   
30.
一种新型的表面声波阻抗传感器及其在液相体系中的应用姚守拙,陈康,刘德忠,聂利华(湖南大学化学化工系,长沙,410082)关键词表面声波,阻抗传感器,液相应用表面声波传感器(SAWS)具有较高的灵敏度和检测精度,已广泛应用于气体微量组分分析、色谱检测和...  相似文献   
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