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The equilibrium geometry,force constants and vibronic frequencies of the SiO2 molecule with linear structure have been optimized by using the Gaussian03 with B3P86/cc-PVTZ; The total internal partition sums were calculated for silicon dioxide with the product approximation. For rotational partition sums Qrot, the centrifugal distortion corrections are under consideration.

应用Gaussian03程序，在B3P86/cc-PVTZ水平上，对二氧化硅分子线性结构进行优化计算，得出其平衡几何构型、力常数和谐振频率等性质参数；采用乘积近似法构建模型计算了二氧化硅分子从20-6000K的总配分函数，其中转动配分函数考虑了离心扭曲修正，振动配分函数采用谐振子近似。

Not only the inorganic-organic hybrid but also the porous structures make coordination polymers become one kind of unique functional materials toward wide applications of catalysis, chirality,conductivity,luminescence,magnetism,non-linear optics,porosity or zeolitic behavior,and molecular devices.

配位聚合物除了可兼具金属离子和配体的性质之外，离子与配体之间的相互作用和聚合物中的空腔也都赋予了它更多的特殊性能。

However, fully consideration of special structure and physiological function of CRP is critical to investigate whether CRP provide protect effect or pathogenic effect in the progression of atherosclerosis. CRP is a member of pentrxins family, which consists of five identical, noncovalently associated 23-kDa protomers arranged symmetrically around a central pore with a 102 A external diameter. Each protomer has a recognition face with a phosphocholine binding site consisting of two coordinated calcium ions adjacent to a hydrophobic pocket. The opposite face of the pentamer is the effector face, where complement Clq binds and Fc receptors are presumed to bind. A cleft extends from the center of the protomer to the central pore of the pentamer. Both faces ofpentamer form a special bi-phase structure: one face is the ligand recognition phase, which can recognize apoptosis cells and enzyme modified low density lipoprotein in which PCh is exposed.

CRP是一种五聚体蛋白，外径为102 A，由5个相同的单体以非共价键结合，形成双面的环形结构，每个单体的配体识别位点或受体结合位点分别位于五聚体两个平面上，分别组成配体识别相和效应器相，从而构成特殊的二相性结构：一面为配体识别相，含有磷酸胆碱(phosphorycholine，PCh)结合位点，能够使CRP识别在病理条件下暴露出PCh的凋亡细胞、酶修饰低密度脂蛋白(enzyme modified low density lipoprotein，E-LDL)等。E-LDL是天然低密度脂蛋白(native Low density lipoprotein，N-LDL)在多种蛋白酶，如胰蛋白酶、神经氨酸酶、胆固醇酯酶等作用下的代谢产物，其主要特点是结构发生改变(N-LDL大小均匀，平均直径250±30 A，E-LDL大小差异极大，直径为100-2000 A)，暴露磷酸胆碱位点，能够被CRP识别；另一面为效应器相，能够与巨噬细胞、单核细胞表面受体FcγRⅡa结合，介导巨噬细胞、单核细胞识别及吞噬凋亡、坏死细胞作用。

Its photoluminescent mechanism has been studied with molecular orbital calculations, showing that the photoluminescent properties are both π〓→π〓 transition of the uncoordinated phen molecules and metal-to-ligand charge transfer , admixed with the cyanide-to-ligand charge transfer of the molecules.

通过分子轨道计算研究了配合物的光致发光机理，显示它的荧光性质既有未配位的phen分子的π〓→π〓跃迁，又有分子的金属到配体的电荷转移跃迁同时混合了部分的氰根到配体的电荷转移跃迁。

Twenty coal blending schemes are developed with different coal blending ratio s and varied coaling methods.

为合理利用地方资源，采用不同配煤比与不同装煤方式的炼焦工艺，设计了20个配煤方案；用5kg试验小焦炉炼焦，对配煤方案进行优选。

For Southwestern Margin of Aqikekule Lake ophiolite, their field geological, petrological, minerological, petrochemical and geochemical characteristics show that:① it outcropped as tectonic slices along the near west-to-east strike Kunzhong fault and is composed of metamorphic perodotties, cumulates and volcanic rocks, in which, chromites are distributed in the upper part of metamorphic peridotites as pods, or in the lower part of cumulates as near-strata;② metamorphic peridotites include serpentinites, chromite-bearing serpentinites, chlorite-epidote schists and chromitites, of which, chromitites have nodular and orbicular structure, and cumulates include pyroxenits, serpentinites, chromite-bearing serpentinites, chromites and metamorphically mafic rocks and only basalts are seen in volcanic rocks;③ Cr# of chromites suggest that they formed in the SSZ and Al〓O〓 and TiO〓 of metamorphic peridotites also suggest SSZ environment;④ metamorphic peridotites have V type and enriched LREE patterns, cumulates have from strongly depleted LREE, flat REE to enriched LREE patterns with universally striking positive Eu anomalies and basalts show flat REE or slight enriched LREE patterns with no Eu anomalies;⑤ trace element and Sm-Nd isotope characteristics of metamorphic peridotites imply their strikingly heterogeneous mantle character ε〓(t+4.39～+26.20 and later Nb, Ta fertilization;⑥ trace element characteristics of basalts and their tectonic diagrams show they probably formed in the rifted island arc or back-arc basin environment.

对阿其克库勒湖西南缘蛇绿岩，野外地质、岩石学、矿物学、岩石化学以及地球化学等特征表明：①该蛇绿岩以近东西向、沿昆中断裂呈构造岩片出露，由变质橄榄岩、堆晶岩和火山岩三个单元组成，其中见铬铁岩呈豆荚状产于变质橄榄岩的上部，或呈似层状产于堆晶岩的下部；②变质橄榄岩包括蛇纹岩、含铬铁矿蛇纹岩、绿帘绿泥片岩和铬铁岩等类型，其中，豆荚状铬铁矿具有结核状构造和球状构造，堆晶岩包括辉石岩、蛇纹岩、含铬铁矿蛇纹岩、铬铁岩和变质基性岩等类型，火山岩仅见玄武岩；③铬铁矿的Cr#表明其形成在俯冲带，变质橄榄岩的Al〓O〓和TiO〓成分也指示了SSZ环境；④变质橄榄岩的稀土配分型式见V型和LREE富集型两种型式，堆晶岩表现出从LREE强烈亏损、REE平坦分布到LREE富集的配分特征，并且普遍具有醒目的正Eu异常，玄武岩的稀土配分型式表现为平坦型或LREE略富集，无Eu异常；⑤变质橄榄岩的微量元素及Sm-Nd同位素特征指示了其地幔的显著不均一性ε〓(t为+4.39～+26.20以及Nb、Ta在后期的富集；⑥玄武岩的微量元素特征及构造图解表明其可能形成在裂谷岛弧或不成熟的弧后盆地环境。

X-ray crystal structure analysis for complex 1 reveals that the copper ion is penta-coordinated by a D-and a L-diamine ligand, and two copper ions are bridge-connected by two cyanides from [Fe6](superscript 3-) in axial position.

晶体结构分析表明，化合物1中Cu离子处于五配位的配位环境，分别和1个D-La，1个吞L-La及[Fe6](上标 3-)中的l个氰基配位，2个Cu离子通过[Fe6](上标 3-)桥联。

The paper analyses optimal switching devices in the distribution networks, sets up a model to decide to judge types and numbers of switchs in proper location of distribution networks and applies to partical swarm optimization to compute. The simulation system is constituted with matlab. The paper discusses and analyses theory of fault location ,excogitates a synthesis matrix algorithm and an algorithm based on GPRS for fault location and isolation.

本文对配电网开关优化配置进行了分析并建立了数学模型，应用粒子群优化算法来确定配电网馈线相应位置的开关种类和数量并进行了matlab仿真；对故障定位的原理进行了详细的讨论和分析，研究出了故障定位的综合矩阵法和一种基于通用分组无线业务的配电网故障定位与隔离的方法。

In order to understand the pros and cons of variance allowance allocation rule (i.e. grandfathering, benchmark and auctioning mixed allocation rule), we surveyed the stakeholders' attitude with regard to implement Emission Trading Scheme in Taiwan. We found that almost 70% people more like auctioning mixes allocation principle than other two allocation methods.

为了解不同排放权核配方式之优劣，藉以提出客观的核配建议，本研究调查台湾能源密集产业利害关系人对实施排放交易制度之态度发现，约七成受访者希望以混合拍卖之方式核配排放权。

In order to understand the pros and cons of variance allowance allocation rule (i.e. grandfathering, benchmark and auctioning mixed allocation rule), we surveyed the stakeholders' attitude with regard to implement Emission Trading Scheme in Taiwan. We found that almost 70% people more like auctioning mixes allocation principle than other two allocation methods.

中文摘要爲了解不同排放权核配方式之优劣，藉以提出客观的核配建议，本研究调查台湾能源密集产业利害关系人对实施排放交易制度之态度发现，约七成受访者希望以混合拍卖之方式核配排放权。

Lugalbanda was a god and shepherd king of Uruk where he was worshipped for over a thousand years.

Lugalbanda 是神和被崇拜了一千年多 Uruk古埃及喜克索王朝国王。

I am coming just now,' and went on perfuming himself with Hunut, then he came and sat.

我来只是现在，'歼灭战perfuming自己与胡努特，那麼，他来到和SAT 。