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In chapter 4, by AREELS, the Generalized Oscillator Strength Density Spectra were measured in the energy region from 56 to 66eV, with the incident energy 2. 5 keV and energy resolution 80 meV, at scattering angles from 0°to 6°, corresponding to the momentum transfer K〓=0.03~2. 01 a. u. The Fano profile parameters f〓 and q for the optically allowed transition 〓(0, 1)〓P°and the optically forbidden transitions 〓(1, 0)〓S〓and 〓(1, 0)〓D〓 were obtained as a function of K〓. With the hyperspherical coordinate wavefunctions, the dynamical correlation are discussed qualitatively. So, a new experimental way to study dynamical electron correlation effect is opened.In chapter 5, the widely used R-matrix theory was introduced. Then, the GOSDS for the optically allowed excitation series (1s〓)〓S〓→〓(0, 1)〓P°(n=2-4) were calculated by this method, and the Fano profile parameters f〓 and q were obtained sequently. So the electron correlation effect can be described by these parameters quantitatively, and the theoretical results were compared with our AREELS experimental results.

在第四章中,实验上,同样使用角分辨的高能量分辨快电子能量损失谱仪,在2.5keV电子入射能量和80meV的能量分辨下,测量了0°到6°散射角下的He原子双电子激发态在56~66eV的广义振子强度密度谱,这种情况,0°~6°对应的动量转移范围K〓=0.03~2.01a.u。,得到了光学允许跃迁的双电子激发态〓(0,1)〓P〓和光学禁戒跃迁的双电子激发态〓(1,0)〓S〓、〓(1,0)〓D〓的Fano线形参数f〓,q等随动量转移变化的曲线;观测到了几个强度很弱、能级很窄的光学允许和禁戒跃迁双电子激发态,用前人准确的理论结果进行了标识;通过比较弱共振〓(1,0)〓S〓和〓(-1,0)〓S〓的强度随动量转移K〓的变化规律,结合超球坐标理论计算的波函数,定性地阐述了在电子碰撞散射过程中它们各自不同的动力学电子关联效应,发展了一套在实验上研究电子关联效应的新方法。

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。

With the frequency and mode shape being regarded as functions of damage parameters, the overdetermined algebraic equations with damage parameters as unknowns can then be constructed by differentiating frequency and mode function on the basis of structure mode finite element formula, the damage parameters of which are obtained via Taylor expansion.

本方法从结构模态有限元算式出发,把频率和振型看作损伤参数的函数,经过泰勒展开获得频率、振型对损伤参数的一阶偏导数,然后构造以损伤参数为未知量的超定线代方程组,求解得到全部损伤参数值。

It utilized factor analysis and regression analysis ofthe multi-statistics to make the quantitative analysis on a great deal of core proxies in the North Indian Ocean and Indonesian Archipelago areas, and acquiredthe exact conversion relations of paleoceanic environment parameters (sea surface temperatureand salinity) and proxies. Then it made the change curve which can show the changes of paleo-ceanic environment parameters (sea surface temperature and salinity) which followed the changesof depth and provided the contrast between paleoceanic environment parameters of different coreson the landscape orientation. This paper supplied a more scientific and exact method for resumingthe paleoceanic environment on paleoceanography research.

本文阐述了以古海洋学数据库系统数据为基础的古海洋学多元统计分析模型,利用多元统计学中的因子分析和回归分析技术对北印度洋以及印尼多岛海地区大量岩芯的替代指标做定量分析,求出古环境参数与替代指标的精确转换关系,从而做出各岩芯处古环境参数随深度的变化曲线,提供不同岩芯在横向上的古环境参数对比,为古海洋学研究中恢复古环境提供了一种更科学更精确的方法。

At each level, the parameters, hyper parameters and model parameters are adjusted to minimize the Kullback-Leibler divergence between their posteriors and real distributions so that the variable free energy can approach the real free energy.

在指出证据框架和自由能最小化方法等贝叶斯推理方法的局限性的前提下,通过对比证据框架的方法,提出了自由能框架的概念,将通常难以求解的自由能最小化过程分解成参数自由能最小化、超参数自由能最小化、模型参数自由能最小化等层次,在每个层次上调节参数、超参数和模型参数,使其后验分布为其真实分布之同的Kullback-Leibler距最小,以使可变自由能逼近真实自由能。

About reprehensive base course parameters research, suggest that different disposal means must be used according to vary test data. According to the suggestion, the rule of design parameters varying along with age is found, and Henan provinces typical base course parameters reference table is put forward at last.

并在此基础上对数据进行处理分析,得出了河南省典型基层设计参数随龄期变化的规律,以及设计参数指标之间的相关关系,最终提出河南省典型基层设计参数推荐参考值。

The method of prediction on stochastical simulating 3D parameter field of rock mechanics is brought forward in this paper. Namely, rock mechanics parameters- curve obtained by known and limited conventional log materials is took as inputs of hard data;and seismic attribute data body, hydrating of mud shale and rock environmental parameters data is took as constraint of soft data. By simulating stochastically through optimizing algorithm of Sequential Gauss Simulation,dynamical data field of rock mechanics parameter of three-dimensional space are gotten, then log response of rock mechanics parameters in position of any point in space is predicted.

提出三维岩石力学参数场随机模拟预测的方法,即以已知有限的常规测井资料计算出来的岩石力学参数曲线作为硬数据输入,以已知地震属性数据体及泥页岩水化和岩石环境参数数据作为软数据约束,选择序贯高斯模拟方法,随机模拟得到动态规律变化的岩石力学参数的三维空间数据场,然后由岩石力学参数的三维空间数据场预测空间任一位置的岩石力学参数在井上的测井响应,并把该反映动态规律变化的测井响应按照油田勘探开发的要求输出成特定格式,供生产和工程上使用。

When these parameters surpass a certain value, the system cannot appear the limitcycle. Through the various parameters\' changing, it demonstrates the forming process of the dissipative structure. Thus it show the dissipative structure\'s characteristic of the trophodynamics predation model and point out the ecological significance of the various parameters in the model.On the fourth chapter, the spruce aphides and its predator model is a predator model.

第四章,以两个捕食者作用于同一食饵的竞争关系模型为例,应用微分方程定性理论,对捕食模型中存在极限环的情况进行了讨论,用MATLAB在相平面上模拟出系统的极限环,此时该体系状态的发展呈现周期振荡趋势,从而揭示出营养动力学为基础的捕食模型耗散结构特征。

According to Johnson's Rule and IR spectra, their possible structures are suggested. The bonding parameters of those complexes are calculated by ESR parameters. And the crystal field parameters are calculated by using electronic spectral data. It can be seen that the vanadyl complexes in the solution are ionic complexes and that the α〓 values of those complexes decrease following the increasing of the N donor replacing the O donor of water on the equatorial plane in those complexes. This means that the covalent bonding between vanadium and ligand increases as Ser, Phen or Bipy replace water ligands. The results show the competitive coordinate law that the coordination reactivity of Phen and Bipy is much stronger than that of Ser. The simulation program of ESR is compiled by the theory of ESR in the present work.

测定了VO-丝氨酸二元体系、VO-丝氨酸-邻菲咯啉三元体系和VO-丝氨酸联吡啶三元体系在不同酸度下(pH=1.0~14.0)的乙二醇/水(V/V=1:1)溶液低温ESR谱,发现不同pH下,溶液中具有不同组成的配合物,根据不同pH下ESR谱的变化,利用Johnson的加合规则并结合红外光谱,推测了它们在溶液中的可能结构;利用波谱参数计算了配合物键参数;利用电子光谱数据计算了配合物的晶体场参数,讨沦了它们的成配特性,结果表明:VO配合物属离子型配合物,随取代水分子的配体(Ser、Phen或Bipy)数目增加,键参数减小,配合物共价性增强,同时得出这些体系中,生物配体竞争配位规律:Phen和Bipy与VO的配位能力比Ser强。

The equations of the orbital parameters are used to calculate the evolution of the orbital parameters and amount of accreted matter to the Ba stars.The effect of the parameters on the contamination factor are dis cussed.

在此基础上计算了Ba星系统在星风吸积过程中吸积的物质量和轨道参量的变化,并讨论了影响Ba星污染因子的因素。

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推荐网络例句

His female bullfighter Lydia gradually Health love, but she was in a vegetative state after the Bulls Zhuangcheng away from her, just because Lydia's ex-boyfriend showed more affectionate than he is like love.

他对女斗牛士莉迪亚渐生爱意,却在她被公牛撞成植物人后离她而去,仅仅因为莉迪亚的前男友表现出好似比他更深情的爱。

I know of none which are not easy to answer, but what I am trying to do now is only by a series of hints to throw some light on the narrow path of legal doctrine, and upon two pitfalls which, as it seems to me, lie perilously near to it.

我不认为有什么难以回答的问题,但我现在要做的仅仅是通过一系列线索,来给法律理论的狭窄路径以及在我看来离它近得危险的两个陷阱提供一些启示。

I know your heart is bleeding at this moment, your little woman.

我知道你的心这个时候在流血,你这个小女人。