轨道计算

The method can not only provide analytical data for the demonstrability and design for the construction and reconstruction of the urban rail transportation, but also calculate and check the technical parameters of the power of traction substations.

这种方法不仅能为城市轨道交通的新建和扩建方案的论证、设计提供分析数据，而且还可以对牵引变电站供电系统的技术参数进行计算与校核。

In order to explore the nature of these phenomena we studied the electronic structures of the two organic molecules using the Density Function Theory.

为了探索这种现象的本质，我们用密度泛函方法计算了两个有机分子的电子结构及前线轨道上的电荷分布。

The ground state of C2 molecule is studied using VB mehods. The potential energy curves of the C2 diatomic molecule were computed by using ab initio VB methods, VBSCF, BOVB, and VBCI. The computational results show that the VB-based PECs are parallel to that of Full CI calculation.

应用XMVB程序对C2分子的基态进行了理论研究，计算结果表明价键方法能够给出和FCI相平行的解离势能曲线；高级别的VB方法，VBCISD方法，能够得到和高等级分子轨道方法相符的解离能。

The fluorescence properties of complexes of europium with β-diketone and terbium with benzoic acid and its derivatives were analyzed and the synergic effect of the second ligand was illustrated from the energy matching of the minimum triplet state of ligands and the resonance energy level of rare earth ions.

提出了掺杂离子荧光增强效应的机理。 4。首次采用ab initio CIS方法，在劈裂价层基组3—21G水平上对各配体进行了量化计算，系统分析了前线分子轨道特征和激发态的能级，从配体最低激发三重态能级与稀土离子共振能级的能级匹配，分析了铕与β-二酮的配合物的荧光性能和铽与苯甲酸系列衍生物的配合物的荧光性能，解释了第二配体的协同效应。

She was called that because of the tax rebate policy until 31 May, just last week She was called to duty drawback, and later saw on television a near Dongjiadu accident is worried that the tax rebate will not miss the opportunity.

经过33小时紧急搬家，数以百万计的财税资料全部移居"新家"并调试完毕，今天上午9点，上周因轨道4号线事故而不得不暂停对外接待的上海市购房者个人所得税税基抵扣计算处恢复正常营业。

After the analysis method of the above two substructures is determined, the environmental vibration produced by elevated railroad traffic can be calculated.

将上述两个子结构结合对高架轨道交通环境振动进行了计算分析。

According to the theory of wave acoustics and ray acoustics,train is regarded as a moving limited line sound source and the mathematics model of sound field distribution is set up around the elevated railway.

根据波动声学和几何声学原理，将列车看作一运动着的有限长线声源，建立了有声屏障时城市高架轨道交通沿线声场分布计算模型。

The results showed that the maximum UV absorption wavelengths of those 1,3,4-oxadiazole derivatives in dichloromethane were in the range of 268~327 nm, and their maximum photoluminescent wavelengths in dichloromethane and solid film were located at 332~390 nm and 359~439 nm, respectively. The 1,3,4-oxadiao1e derivatives exhibit a first endothermal peak at 120~328℃ in the DSC heating process, and the symmetrical 1,3,4-oxadiazole derivatives display a higher melting temperature. The CV curves of those 1,3,4-oxadiazole derivatives indicate that the reductive potentials of the 1,3,4-oxadiazole derivatives are located at -1.03~0.98 V, and their LUMO(the lowest unoccoupied molecual orbit) energy levels are -3.71~-3.76eV.

结果表明，该类衍生物在二氯甲烷溶液中的最大紫外吸收波长在268~327nm范围，在二氯甲烷溶液和固体膜中的最大荧光发射波长分别在332~390nm和359~439nm范围；DSC分析结果表明，5个噁二唑衍生物的起始吸热峰位于120~328℃之间，其中对称结构的噁二唑衍生物显示了较高的熔融温度；由循环伏安图和相关计算结果表明，5个噁二唑衍生物的还原电位位于-1.03~-0.98V，其相应的最低非占有分子轨道能级在-3.71~-3.76 eV之间。

The position of the radar beam center is calculated in the three-dimensional geometry of spheres.

在星载SAR卫星地面覆盖图仿真软件方面，选择了合适的地球模型、卫星轨道模型以及地图投影法，并对波束中心位置的计算进行了推导。

The molecular structural parameters of indophenol and its derivatives were calculated by semi-empirical molecular orbital quantum chemical method.

以半经验分子轨道方法计算吲哚酚衍生物的分子结构参数。

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