查询词典 structural frame

Density Functional Theory method was used to optimize the geometries of 209 PCDE molecules, 209 PBDE molecules and 75 PCDD molecules at the B3LYP/6-31G* level. Using computed structural parameters as theoretical descriptors, the forward stepwise multiple regression technique was adopted to obtain QSPR models of environmental partition properties for these POPs by using GQSARF 2.0 and SPSS12.0 for windows programs. The obtained QSPR models are as follows:(1) QSPR models for predicting subcooled liquid vapor pressure, n-octanol/water partition coefficients lgK_(ow and subcooled liquid water solubilities -lgS_(w,l of PCDEs, of which correlative coefficients (R~2) are 0.988, 0.958 and 0.959 and the root-mean-square-error of estimation are 0.134, 0.116 and 0.327 respectively.(2) QSPR models of lgPL and n-octanol/air partition coefficients lgK_(oa for PBDEs, which both contain three structural parameters. The values of R2 for the two models are both 0.997 while the values of RMSEE are 0.073 and 0.062 respectively.(3) QSPR models of lgKow and–lgS_ for PCDEs, which both have one variable (mean molecular polarizability,α). The values of R~2 for the two models are 0.978 and 0.866 and the values of RMSEE are 0.300 and 0.270 respectively.(4) The molecular structures of 24 substituted naphthaline compounds were optimized using Hartree-Fock and DFT methods at four different levels and the same means was used to obtain four three-parameter (EHOMO, q~+ andα) QSPR models of lgK_. The model at the HF/6-311G** level is the best one of which R2 is 0.9662 and RMSEE is 0.380.(5) QSPR study for environmental partition properties of PCDEs was also performed using position of Cl substitution method in which simple parameters of substitution position were taken as descriptors. The multiple linear regression was performed with GQSARF 2.0 and SSPS 12.0 for windows programs to obtain QSPR models of lgP_L, lgK_ and–lgS_ for PCDEs of which R~2 are 0.991, 0.983 and 0.965 and RMSEE are 0.311, 0.100 and 0.300 respectively.

采用密度泛函理论方法在B3LYP/6-31G*水平上对PCDEs、PBDEs和PCDDs的分子结构进行了全优化计算，以计算得到的量子化学参数作为理论描述符，采用GQSARF 2.0和SPSS 12.0 for windows统计程序进行正向逐步回归分析，建立了这些POPs的环境分配性质的QSPR模型：(1) PCDEs的过冷液体蒸汽压、正辛醇/水分配系数lgK_(ow和水溶解度-lgS_(w，l的QSPR模型，这3个QSPR模型的相关系数(R2)分别为0.988、0.958和0.959，估计的均方根误差分别为0.134、0.116和0.327；(2) PBDEs的lgPL和正辛醇/空气分配系数lgK_(oa的QSPR模型，这两个模型都包含三个分子结构参数，其R~2都为0.997，RSMEE分别为0.073和0.062；(3) PCDDs类化合物的lgK_和-lgS_w的QSPR模型，两个模型都只含一个变量，其R~2分别为0.978和0.866，RSMEE分别为0.300和0.270；(4)采用Hartree-Fock和DFT方法，在4种不同水平上优化计算了24个取代萘系列化合物的分子结构，采用上述同样的方法分别建立了四种水平上的三变量lgK_模型，通过比较得到，在HF/6-311G**水平计算得到的模型最好，R为0.966，RSMEE为0.380；(5)同时，采用氯原子取代位置方法对PCDEs的环境分配性质进行QSPR研究，建立了PCDEs的lgPL、lgK_和-lgS_的QSPR模型，其R~2分别为0.991、0.983和0.965，RSMEE分别为0.110、0.100和0.300。

The numerical results indicate that transverse finite strains affect the structural response in two ways. It is neglectable in structural response in the direction of the

结果表明，横向有限应变对涡旋脱落载荷作用方向的结构响应影响相对较小，但对轴向位移和水流方向位移响应的影响很大，并通过功率谱分析发现，还将改变原有的结构振动特性。

This research used option-based structural model: Merton Model and the Implied Volatility Model which visualized an option on the firm's equity that expired before the debt mature was a compound option and was proposed by Hull, Nelken and White in 2004. Then compare the fitting and ranking ability in the model implied credit spread of the two structural model to the observed bond credit spread between corporate bond yield and bond yield in Taiwan's listed companies.

本研究运用选择权基础的信用风险模型：Merton(1974)模型与Hull， Nelken and White(2004)提出将个股选择权视为复合选择权的Implied Volatility模型，比较这两个结构式信用风险模型所计算出的隐含信用利差对台湾上市、柜公司之公司债殖利率与公债殖利率间实际的信用利差之配适能力与排序能力。

The structural characteristic of the MNLs is corresponded with the feature of the water masses. The intrusion of the Kuroshio Current into the shelf sea, the turbid Changjiang diluted water mass and the interaction between the coastal current system and the Kuroshio Current shelf branches are responsible for the structural variety of the marine nepheloid layers in the East China Shelf Sea.

雾状层结构特征与以温、盐和密度为特征的海洋水团类型有良好的对应关系，黑潮在东海陆架边缘沿陆坡的爬升及其入侵陆架的支流与较浑浊的黄、东海陆架水体的相互作用，以及浊度较高的长江冲淡水在东海水体上层的存在，是东海雾状层类型复杂多样的主因。

As the shape optimization design of structural element sections belong to structural optimization,which has its own traits such as discreteness, nondifferentiable and non-convexity,while the traditional optimal methods are not applicable.

结构截面形状优化设计属于工程结构优化问题，由于工程结构优化问题具有离散性、不可微性和非凸性等特点，而传统的优化算法对所优化的问题往往要求连续、可微、非凹等前提条件，所以已不再适合用于工程结构优化问题的求解。

This text has made detailed exposition with macroscopic and the microscopic structural feature of the softwoods, emphatically in timber discern and nature classification, and in detail described some to represent the tree seed macroscopic and the microscopic characteristic, still shoot the timber to cut into slices through the optics microscope, in order to explain the main structural feature of the softwoods more ocularly.

本文就针叶树材的宏观与微观构造特征作了比较详细的阐述，着重于木材识别和性质分类上，并对一些代表树种的宏观与微观特征做了比较详细的描述，还借助光学显微镜拍摄木材切片，以便更加直观地说明针叶树材的主要构造特征。

Involving effects of the number of stores and spans on structural ductility and overstrength capability, the structural influencing coefficient values are determined for moment-resisting steel frames under the action of the typical seismic wave.

考虑了结构层数、跨数等对结构延性和超强能力的影响，给出了在典型地震波作用下的各结构的结构影响系数值。

The specific laboratories affiliated to the state key laboratory are well equipped to support researches in palaeobotany, structural botany, cytology, protein analysis, structural genomics, and functional genomics, etc.

系统与进化植物学国家重点实验室不仅是该领域最具活力的研究团队和重要支撑平台，也是培养人才的基地，目前已经培养了200多名博士生和硕士生。

The specific laboratories affiliated to the state key laboratory are well equipped to support researches in palaeobotany, structural botany, cytology, protein analysis, structural genomics, and functional genomics, etc.

专业实验室有大化石实验室、结构植物学实验室、细胞学实验室、蛋白质组学实验室、结构基因组学实验室、功能基因组学实验室、实验温室和相片制作室等。

When social structural is researched, public field is introduced to offer structural support for the phronesis model of the law concept.

对法律实践言说之社会结构分析引入了公共领域的分析框架，它为实践理性维度下的法概念提供了结构性支撑。

We have something to do in the new stage.

在这段崭新的时期中，我们有一些要做的。

The difference between tourism decision-making under uncertainty and risky tourism decision-making is indistinctive.

其中不确定性旅游决策和风险旅游决策的界线比较模糊，两者的区分是相对的。