计算

The reaction path of isocyanic acid with carbon-hydrogen radicals CH, CH_2 and CH_3 have been investigated by using UMP2 method at 6-311 g level. The geometries of the stationary points and the changes of molecular structure along the reaction path are discussed.

在UMP2/6-311计算水平上，计算并讨论了碳氢自由基和异氰酸发生氢转移反应位能面上驻点的结构和分子结构变化，并依据 UMP2的优化构型，进一步采用UQCISD方法对反应途径上的驻点进行了单点能量计算。

This paper bases on the former documents which related to the distance in HMM (we also proved Juang and Rabine's intuitionistic discussion strictly ), and study the distance in HMM from two aspects:the one is to find the more rapid and effective approximate algorithm, the other is to introduce a new and more applied distance.

针对J-R距离在理论上很有意义，但实际上难以计算且结果具有不确定性的缺点，利用文献[11]，得到了近似计算离散HMM和具有混合高斯观测密度的连续HMM距离的一种快速有效的算法，该算法用矩阵形式来表达，便于用MATLAB进行计算。

Secondly, by the analysis of influencing factors of collapsibility of loessal foundation, results indicated that at the basis of the grey incidence analysis on influencing factors of collapsibility of loessal foundation,the void ratio is the superior and steadily influencing factor of collapsibility at all events and other influencing factors will have different degree of influence according to the specific conditions of loess foundation.

通过分析影响黄土湿陷性变形的因素，对于湿陷变形因素的关联分析，可以看出土性指标对湿陷性的影响程度，孔隙比的影响比较突出，基本上可以认为是在土性指标对湿陷性的影响程度中最大的，其它指标会因土质含量、黄土的类型不同而影响各异。总之，本文应用灰色系统理论的关联分析法对应用广泛的工程实用模型变形计算方法做一些因素分析、进行反思，同时证明了弦线模量法计算沉降是值得大力推广的，弦线模量法计算沉降在将来的工程实践中必将带来更为可观的社会经济效益。

First,it mainly utilizes analytics to deduce formula of slot leakage reactance.It considers three instances,including monolayer-slot,multilayer isometric-slot and multilayer anisometric-slot.Then,the analytics and the FEM are utilized to calculate slot leakage reactance of stator winding of prototype of Powerformer and compare their results.Second,the theory of utilitzing FEM to calculate the reactance of Powerformer is simply introduced,including stable reactance,transient and subtransient reactance.Specially,the saturated influence of the stable reactance is considered.Then, the results are analysed.Final,it mainly introduces the influence of harmonic magnetomotive force of stator winding and analyses the harmonic magnetomotive force of stator winding.

首先是用解析法推导出Powerformer定子绕组槽漏抗的计算公式，考虑了单层圆形半闭口槽、多层等半径圆形半闭口槽和多层不等半径圆形半闭口槽三种情况，并对Powerformer样机的定子绕组槽漏抗用解析法和有限元法进行了计算，并比较其结果；其次，简要介绍了有限元法计算Powerformer电抗参数的原理，包括稳态电抗、瞬态电抗和超瞬态电抗，对稳态电抗考虑饱和影响，对结果进行分析；最后，介绍定子绕组谐波磁势对电机运行性能的影响并对定子绕组谐波磁势进行了分析。

Optimized and calculated geometric structure and infrared spectrum of benzoic acid molecule with density functional B3LYP method on 6-311G ** base cluster level,and compared the calculated infrared frequency of each conformation of benzoic acid with actually-measured infrared spectrum,thus determined molecula.

用密度泛函 B3LYP方法在6-311G**基组水平上对苯甲酸分子的几何结构和红外光谱进行了优化和计算，并将计算所得的苯甲酸各构象的红外频率与其实测的红外光谱进行比较，确定了在晶体中苯甲酸的分子结构，同时在计算中给出了各种频率所对应的红外强度，对光谱进行了归属。

Aiming at a class of complex electromechanical systems, such as 4-high or multi-high cold mills and continual mills, we firstly construct mathematical models of every subsystems by means of structural principle modeling method; nextly, get the overall mathematical model of electromechanical drive system by joining together these subsystems'models according to coupling variables and parameters; we finally simplify the overall model according to time-scale principle which can retain main eigenvalues and significant state variables, and obtain a practical mathematical model of complex electromechanical system. By simulating the CM04 temper mill's model constructed by above-mentioned method, we test and verify that the modeling method is effective and practical. The study analyzes and researches the electromechanical coupling facts and acting laws existing in complex electromechanical system.

提出了系统的总体测试方案，设计了高保真度的信号隔离和缓冲器，解决了从大功率、大电流复杂机电系统主回路中提取真实谐波分量、而又能不影响系统正常运行的难题；发现了谐波电流对平整机工作状态的影响规律；确认谐波电流是可能引起平整机工况奇异、产生机电耦合振动、导致带材产品表面出现明暗振纹的一个因素；提出了一种多相整流电路谐波电流的分析计算方法，用该方法对平整机三相桥式整流供电电路的谐波分量进行了理论分析和计算，计算结果与实测结果能得到相互验证，说明该方法是可行的，实测结果是可靠的。

The test and verify to model and its'computer program was done by calculating the ballistic effect of coated nitramine and nitroguanidine propellants on 105mm gun.

通过105mm火炮硝基胍和硝胺两种低温感装药的计算，对模型及其计算程序进行了验证，其计算值与实测值相吻合，表明模型具有实用价值。

It is obvious that, in the interface between substrate and diamond film,there exists the lattice strain effect resulting from lattice misfit because ofthe difference between the lattice constants.The lattice strain effect willcause some nonnegligible influences on the processes of diamond films′growth.

在本论文中，我们首次提出了在异质衬底上研究金刚石薄膜生长机理时必须引入晶格应变效应微扰修正的物理思想，并借鉴固体能带应变微扰理论，首次在分子轨道理论框架下建立起计算晶格应变微扰效应的理论，其中包括提出了计算单个化学键应变张量的方法和由分子轨道波函数计算应变微扰Hamilton矩阵元的方法。

A formula was derived and given to calculate the Shupe effect in the quadrupolar winding including the effects of the midpoint deviation and the fiber diameter. This formula, compared with that considering only the ideal situation, can not only be used to account the thermally induced nonreciprocal phase shift under different midpoint deviations and fiber diameters, but also indicate the effects of the fiber coil's structure when there exist nonideal factors.

本文分析了中点偏差、光纤直径尺寸对四极性绕法中相向传输光对称性的破坏，推导给出了包括中点偏差和光纤直径尺寸影响的四极性绕法热致非互易相移的计算公式，该公式相对于只考虑理想情况的计算公式，不仅能计算不同中点偏差和光纤直径情况下的热致非互易相移，而且揭示了存在非理想因素时，光纤环结构对热致非互易性的影响。

For the measuring algorithm of the electrical parameters, it was emphasized to discuss the measuring computation of reactive power in three-phase circuits, and the author theoretically deducted its measuring errors in both nonsinusoidal waveform circuits and three-phase unbalanced load systems in this paper.

对于电参量的测量计算，本文着重论述了三相电路无功功率的测量计算，并就三相电路非正弦不对称的情况下无功功率的测量计算进行了理论推导。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了