查询词典 partition density

In the present study, Hartree-Fock and Density Functional Theory with different basis sets were employed to calculate the structural and thermodynamic parameters of 66 thiophenyl, phenyl sulfoxide and phenylsulfonyl cycloalkane carboxylates. With the statistic software SPSS11.5 for windows and GQSARF2.0, the QSAR models relating physicochemical properties of these compounds to their structural and thermodynamic parameters were successfully obtained, using multiple stepwise regression method. The physicochemical properties observed in this work include octanol/water partition coefficient, chromatographic capacity index, toxicity (EC50 and LC50), and solubility etc.

本文采用从头算方法中的Hartree-Fock 方法、密度泛函理论方法(Density functional theory，简称DFT)中的不同基组，计算了苯硫基、苯亚砜基和苯砜基含硫芳香羧酸酯三类共66 个化合物的结构参数和热力学参数，利用SPSS11.5 for windows 统计软件和GQSARF2.0 软件，采用多元逐步回归法拟合得到与溶质-溶剂相互作用有关的物理化学性质与结构参数和热力学参数之间的QSAR 方程，这些物理化学性质包括辛醇/水分配系数、色谱容量因子、毒性(EC50和LC50)、溶解度等。

In addition,the partition of granularities was determined by density of time unit, the sparse time unit was kept in rough granularity and the denseness in fine.

稀疏密度的时间间隔对应粗粒度的划分，而高密度的间隔对应细粒度的划分。

There is positive correlation between bone mineral density and ratio of trabecular partition to ROI area, and negative correlation between bone marrow partition to ROI area or Euler number.

跟骨高分辨CT图像能客观反映糖尿病非胰岛素治疗患者跟骨微观形态学方面的改变。

By CT scanning,it is light density mostly with,but only small department has no average density;Its border is sharp with outer plate deletion mostly,inner plate changes gracile,and it is found partition and high density blotch in expansion on bone matrix defect area.

结果 6例患者，均单发；X线为圆形或类圆形软组织密度骨质缺损区，边界清晰；CT表现为病灶密度不均匀，以等密度为主，膨胀性颅骨破坏区边缘锐利，外板部缺失，内板变薄，内有高密度斑点及分隔。

Based on the partition of unity concept, the XFEM relaxes the prohibitive requirements for mesh density by improving the shape functions with the basic knowledge of discontinuous problems.

重点介绍XFEM的基本原理、实施步骤及应用实例等，并进行必要的评述。

MOES partition orange' yield to seven subsystems, viz. breed' choice, to alter earth and build orchard, to breed seeding, planting and engrafting, field' manage, prevention and cure of the plant diseases and insect pests, to pick and store.Knowledge's denotation form, viz. knowledge of the description, data, rule, aggregation etc were adopted.Some expert' decision-making sustaining systems, for example, soil' information systems, hyper text database, photograph database, knowledge' rule-base etc are used as supple mentary means.The methods of "bring","decision-making tree" and "weighted illegible logic", to construct five decision-making modules, viz. the decision-making of breed, a period of seeding time, planting density, fertilizer and plant diseases and insect pests were also adopted.

MOES将柑桔生产分为品种选择、改土建园、繁育壮苗、定植与嫁接、田间管理、病虫害防治、采收与贮藏7个子系统，采用描述型知识、数据型知识、规则型知识、集合型知识等知识表示形式，配以土壤信息系统、超文本数据库、图片数据库、知识规则库等专家决策支持系统，采用&产生式&、&决策树&和&加权模糊逻辑&的方法构建了品种决策、播期决策、定植密度决策、肥料决策和病虫害诊断五个决策模块。

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 quantitative structure-activity relationships were established based on the 1-octanol/water partition coefficient and an electronic parameters-lowest unoccupied molecular orbit. The result shows that the highest sensitivity is cell density between three end points, and the toxicity of secondary and tertiary propargylic alcohols is correlation to the position of alkynyl and hydrophobicity, respectively.

本次实验结果可发现三个参数中以Final yield的敏感度是最高的，而二级炔丙基醇类之毒性高低是和其炔基接的位置有一定的关联性，三级炔丙基醇类之毒性则与疏水性的高低有关：疏水性越高其毒性越强。

By non-enhancement scan, 12 cases showed low density mass, 4 cases equal density mass, 1 case slightly high density mass, and 2 cases stippled calcification mass. By enhancement scan, 13 cases showed inhomogenous enhancement in cortical phase, 2 cases showed slight to moderate enhancement. Another 2 cases of small cystic RCC presented enhancement of wall with nodules and the partition. The enhancement of all tumor cases faded away in the following parenchymal phase and pyelographic phase, demonstrating some degrees of "fast washing out" phenomenon; 4 cases presented with pseudocapsule. The reconstruction of 17 "MPR/MIP" and 9 "VR" showed clearly the relations of kidney vessels, tumors and neighbor tissues and accessory renal arteries were founded in 2 cases.

结果：17例中小实性肾癌15例，小囊性肾癌2例；CT平扫呈低密度12例，等密度4例，稍高密度1例，伴有斑点状钙化2例；增强扫描皮质期13例呈不均匀明显强化，2例呈轻中度强化，另2例小囊性肾癌的囊壁、壁结节及囊内分隔明显强化；实质期、肾盂期扫描所有肿瘤强化均迅速减退，呈&快进快退&改变；4例可见假包膜。17例MPR/MIP、9例VR重建均能清楚显示肾血管、肿瘤与邻近组织的关系，并发现副肾动脉2例。

Furthermore, a method of calculating mathematic expectation value of exterminating target, the shooting number of times, the minimum time partition between targets, which can guarantee that they would be exterminated on the far boundary of the killing area and in it ,the shooting density under this condition.

文中给出了在两种形式的电子干扰下，某型地空导弹武器系统发现目标能力的计算方法，进而研究了该条件下消灭目标的数学期望值、射击次数、保证目标在杀伤区远界和杀伤区内消灭的目标之间最小时间间隔、射击密度等参数的计算方法。

It goes back to what I told you...

现在回到我告诉过你的。。。

With a supporter in Mr Charest and an admirer in Mr Dumont, Mr Harper may be encouraged to call an election himself.

由于在沙雷那边有个支持者，杜蒙那边有个崇拜者，鼓励哈珀为自己举行一次选举。