查询词典 spherical geometry

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

The crystal structures have been determined by single-crystal X-ray diffraction.Cadmium atoms in compounds 1 and 2 show an eight-coordinated distorted square-antiprismatic geometry and a seven-coordinated distorted pentagonal bipyramidal geometryrespectively. Copper atoms in compounds 3 and 4 show a six-coordinated distorted threeprismatic geometry and a four-coordinated distorted tetrahedral geometry respectively.

所有配合物的晶体结构都通过单晶X-射线衍射确定：配合物1中的镉离子周围显示八配位的扭曲四方反棱柱构型；而配合物2中的镉离子周围显示七配位的扭曲五角双锥构型；配合物3中的铜离子周围显示六配位的扭曲三棱柱构型；配合物4中的铜离子周围显示四配位的扭曲四面体构型；配合物5中的锌离子周围显示六配位的扭曲八面体构型。

Using the principle of Projectiv e geometry and Analytic geometry,we have intact analysed about the cut and hand in line of taper and Geometry proved the form produced by the special-position -leve and the general-position-level.

利用射影几何和解析几何的原理对圆锥截交线进行了完整的分析，对特殊位置截平面与一般位置截平面产生的截交线的形状进行了几何证明，为截交线的形状判别与绘制提供了理论依据。

Possible speed means that in the good climatic and traffic condition, the automobile is only influenced by the geometry line shape of the highway; the driver with skilled technology drives the travel speed that the automobile may reach while going along certain highway.Possible speed is decided by geometry line shape of the road mainly, its change can reflect the change state of the line shape of the road, and the geometry line shape of the road play a very important role to emergence of the traffic accident, so the change of the possible speed can reflect the security state of the road.

可能速度主要由道路的几何线形决定，它的变化可以反映道路线形的变化状况，而道路的几何线形条件对交通事故的发生起着举足轻重的作用，因此可能速度的变化情况能够直观的体现道路的安全状况。

Based on the framework of wheat morphology visualization, the 3D geometric modeling technologies of wheat organs were investigated, and the organ geometrical models were developed with characteristic architecture parameters. The model included three submodels: leaf geometry, stem geometry and wheat spike geometry submodels.

本研究以小麦作物为对象，在提出小麦形态可视化技术框架的基础上，首先研究了小麦不同器官的三维几何建模技术，构建了基于器官形态特征参数的几何模型，包括叶、茎秆和麦穗几何模型。

Using the two-stream fluid model, the linear dispersion relation is derived assuming a two-dimensional spatial geometry. Two cases are considered, one is that the 2D spatial geometry is defined by the plane containing the two counterstreaming electron populations and the perturbation wave vector , and the other is that the geometry is defined by the plane being vertical to the two counterstreaming electron populations .

对高能束流和电子回流构成的双流系统，建立冷等离子体流体模型，采用简正模分析方法，分别考虑扰动波矢在平行于电流传播方向的平面上和在垂直于电流传播方向的平面上这两种情况，推导了不稳定性的色散关系。

By using the expansion of spherical wave functions for a cylindrical wave function and with the help of the theory of hypergeometric functions, the Sommerfeld type integral contained in the electromagnetic fields is expressed as a rapidly and absolutely convergent series of spherical wave functions; and the coefficients of the series are the Legender Polynomials with the complex argument for the constitutive parameter.

应用圆柱波函数的球面波展开式和超几何函数理论，场分量中的索末菲尔德型积分被表示成快速、绝对收敛的球面波函数系展开式；展开系数是以物性参数为复宗量的勒让德多项式。

By using the expansion of spherical wave functions for a cylindrical wave function and with the help of the theory of hypergeometric functions, the Sommerfeld type integral contained in the electromagnetic fields is expressed as a rapidly and absolutely convergent series of spherical wave functions; and the coefficients of the series are the Legender Polyno...

应用圆柱波函数的球面波展开式和超几何函数理论，场分量中的索末菲尔德型积分被表示成快速、绝对收敛的球面波函数系展开式；展开系数是以物性参数为复宗量的勒让德多项式。

The object of projectile design is analyzed, and the layer-TOPSIS method is provided for the evaluation of total effectiveness by taking the layer concept into the TOPSIS method. In the calculation of object weights, the grade calculation method is suggested, which has less dependence on the subjectivity of decision-maker and can take account of both sensitivity and allowableness of objects, the geometric-arithmetic method is provided for grade weight calculation and methods for sensitive weight and allowable weight are given. Of modes in system analyzing, the penetration model of target with spherical-fragment is carried out based on the theory of Dynamic Spherical Cavity Expansion, and it is a supplement of the models for calculation the damage of the fragmentation warhead to target.

对弹丸设计进行了目标分析；通过在TOPSIS方法中引入层次结构的概念，提出了适用于弹丸总体效能评价的层次TOPSIS评价方法；在指标权重计算中，提出了对决策者主观依赖较少的能反映指标的敏感性和相容性的分级权重计算方法；在分级权重计算中，分别给出了等比-等差权值计算方法和敏感-相容权值计算方法；在系统分析的模型中，对破片战斗部的威力计算中的模型进行了补充，在空穴膨胀理论的基础上提出了球形破片侵彻有限厚靶板的侵彻计算模型。

The scattering properties of particles with different shape parameters are simulated respectively in the modes of reflection and refraction. Both in the modes of reflection and refraction, the phase difference of non-spherical particle's PDA signal is the unbiased estimate of the corresponding phase difference of ideal spherical particle, and the standard deviation of angle roughness scale on particle surface impacts little on the distribution of phase difference.

本文通过物理光学的方法分析了非理想球形粒子的散射特性，利用物理光学中的稳相点理论，导出了非理想球形粒子散射光的相位表达形式，分析了非理想球形粒子的形状对PDA信号相位及相位差的影响，建立了非理想球形粒子的尺寸分布与PDA信号相位差分布之间的关系。

"Please accept this talisman as a token of our thanks."

请收下这个护身符以表达我们的感谢。

If I have that magic, I will be more acceptable in the society.

如果我拥有那种魔法，我将更加被这个社会所容纳。