轨道计算

The cyclopentane was study by EMS. The valance orbital can not be entirely distinguished, due to the energy resolution of the spectrum, but the detailed information of the momentum profiles can be obtained by theoretical calculation.

对环戊烷分子的电子动量谱学研究受谱仪分辨率的限制，从电离能谱中不能分辨环戊烷分子的每一轨道，但理论计算可以得到各价轨道的束缚能、电子动量谱等信息。

Because of the interaction of orbitals the calculated delocalization energy is different if the order in which the orbitals are deleted is different.

由于轨道之间的相互作用，使离域能的计算与轨道剔除的次序有关。

The electron cloud of the highest occupied molecular orbit and the lowest unoccupied molecular orbit were calculated by Gaussian 03 software.

利用高斯03软件计算了此材料分子的最高分子占据轨道和最低空轨道上的电子分布情况。

Dynamic analysis was used by train-bridge model to elevated railway system considering rail irregularity .

考虑轨道不平顺，采用整体车辆和桥梁组合的计算模型，对高架轨道进行车-桥动力分析。

The calculated results show that the most stable structures of C 5H 10NH(NH 3) n are one linear hydrogen-bonding, three-cyclic and four-cyclic structures for n=1, 2, 3, respectively. At MP2/6-31G//B3LYP/6-31G level, the MO population analysis of the most stable configurations C 5H 10NH(NH 3) n(n=1—3) has been employe...

在 MP2 /6 - 31G //B3LYP/6 - 31G水平下，对最稳定构型 C5 H10 NH( NH3) n ( n=1～ 3)的分子轨道进行布居分析，并且对相应的占据轨道进行指认。C5 H10 NH( NH3) n( n=1～ 3)垂直电离势的计算结果表明，形成氢键团簇后，分子的垂直电离势降低。

The non-relativistic energies and wave functions were determined by Rayleigh-Ritz method. The relativistic effects, including the correction to kinetic energy, the electron-electron contact term, and the orbit-orbit interaction, Darwin term, and mass-polarization effect on the energies were calculated by using first-order perturbation theory. In order to obtain a more accurate result for the larger Z system, the quantum-electrodynamics correction should be included. This correction to energy can be evaluated for the valence electron by using a hydrogenic formula with an effective nuclear charge, Z. The ionization potential, the excitation energies and the fine structure split-tings for a lithium-like ion with higher nuclear charge (Z=26) were calculated.

非相对论能量用Rayleigh-Ritz变分法确定，包括动能修正、电子—电子接触项、轨道—轨道相互作用项以及Darwin项的相对论修正和质量极化项由全实加关联波函数的一阶微扰给出，量子电动力学修正由有效核电荷方法和类氢公式计算；给出了较高核电荷(Z=26)类锂体系1s^2nl组态的电离能、激发能和1s^2np组态的精细结构劈裂。

The irradiance on the earth synchronous orbit and median orbit in the standard atmosphere was computed.

对地球同步静止轨道、中轨道卫星标准大气下的核爆光辐射探测器的接收照度进行了计算，得出了理想状态下探测器的动态范围及灵敏度。

Both motor car and each trailer of HST were modeled as a multi-rigid-body system with two suspensions, and LVT was modeled as an assembly of track segment elements with 24 degrees of freedom. The vertical vibration matrix equation of the system was established on the basis of the principle of the total potential energy with stationary value in elastic system dynamics and the rule of "set-in-right-position" for formulating system matrixes, and then Wilson-θ numerical integration method was used to solve the problem. The dynamic responses of the system were calculated when the train runs at the speed of 200 km/h. And the effects of vertical stiffness of rail fastener and block pad on vertical vibration responses of the system were investigated.

其原理是：将高速列车的动车和拖车模拟为具有二系悬挂的多刚体系统；将弹性支承块式无碴轨道模拟为具有24个自由度的轨段单元的集合；基于弹性系统动力学总势能不变值原理及形成系统矩阵的"对号入座"法则，建立此系统竖向振动矩阵方程，并采用Wilson-θ数值积分法求解，计算速度为200 km/h时此系统竖向动力响应，研究轨道刚度对此系统竖向振动响应的影响规律。

Expatiated on the application theory of basic orbit, including subastral point calculation, visibility analysis, coverage evaluating and spacecraft life-span estimate.

阐述了基本轨道应用分析理论，包括星下点轨迹计算、可见性分析、覆盖评估和轨道寿命估算。

Track vibration due to typical rail joint irregularities has been simu-lated and verified.The influence of rail pad stiffness on track vibration is analysed in detail.

计算了广深准高速条件下典型接头不平顺激励的轨道动力效应，分析了轨下垫板的刚度对轨道动力效应的影响规律。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失