三原子的

The discovery of [60]fullerene made us to learn of a completely new world ofcarbon: from plane molecule of low symmetry to ball shape molecule of highsymmetry, from simple molecule to supermolecule of fullerene clathrate and fromone-dimensional superconductivity to three-dimensional superconductivity.

的发现使我们了解到一个全新的碳的世界，从平面低对称分子到全对称的球形分子，从简单的分子到富勒烯笼内包原子的超分子，从一维超导到三维超导。

A new theoretical model, the 2CLJDQP potential function, was developed for linear molecules, which takes into account dipole, quadrupole and induction effects as well as the rotation of the dipole out of the molecular axis. The energy parameters were optimized for various types of fluids. With the modified mixing rules, the potential parameters obtained from homonuclear molecules can be used to calculate the second virial coefficients of heteronuclear molecules. The model was also successfully extended to triatomic molecules. Analysis of the contributions to the second virial coefficients of long-range interactions shows that the molecular interactions introduced in the present model, such as, the induction effects, cannot be neglected.

建立了全新的线型分子2CLJDQP势能模型，考虑了偶极作用、四极作用及诱导作用的影响，还考虑了极轴与分子轴不平行的情况；回归了多种线型分子的势能参数；通过改进混合规则，可应用同核线型分子的势能参数直接计算异核线型分子的第二维里系数；扩展该模型可用于线型三原子分子计算；讨论了各长程引力项对第二维里系数的贡献，结果表明本模型引入诱导作用等是十分必要的。

In sparkle discharge ,following conclusions could be reached:(1) overall spectral intensity in nitrogen is lower than in oxygen . When water is added, integrality light intensity is lower compared with the pure gas condition.(2) No matter it is nitrogen or oxygen, when water is added, syllabify three spectral lines of atomic H: Hα(656.3nm), Hβ(486.1nm), Hγ(434.0nm) could be seen. What is more, when water is added into oxygen, the spectral line of H atom becomes stronger.(3) When discharge in pure nitrogen, the light intensity falls with the increasing gas flow rate. While if water is added, the light intensity will rises with the increasing gas flow rate.(4) When discharging in pure oxygen, the light intensity rises with increasing gas flow rate. While if water is added, with increasing gas flow rate the light intensity initially will change as this:first rise, then saturate at about 140l/h, finally falls.

在火花放电中：(1)氮气的整体光谱强度要弱于氧气的整体光谱强度，加水时的整体光谱强度比纯气体中放电小很多；(2)无论所通为氮气或氧气，加水时可以清晰的看到Hα(656.3nm)，Hβ(486.1nm)，Hγ(434.0nm)三条氢原子的谱线，而且在氧气加水的情况下产生的H原子的谱线要强些；(3)纯氮气中放电时随着气流量的增大放电光谱的强度随之降低，氮气加水放电时随着气流量的增大放电光谱的强度随之升高；(4)氧气放电时，随着气流量的增大，放电光谱的强度随之升高，氧气加水中放电时随着气流量的增大，放电光谱的强度开始随之升高，在140l/h时的值最高，接着就开始下降。

In order to get the information of interaction between metal complex and DNA and select metal complexes which can cleave DNA effectively, twenty seven transition metal complexes containing O/N coordinate atoms have been synthesized in this thesis. We report the synthesis, crystal structure and properties of the complexes. One of the complexes is the first μ〓-oxalato tetranuclear Cu complex, in which there is ferromagnetic interaction between the copper atoms bridged by oxalate ions. Two trinuclear copper complexes containing partial cubane Cu〓O〓 cores have been synthesized and discussed the magnetic properties.

为了解金属配合物与DNA的相互作用及筛选能有效切割DNA的金属配合物，为无机药物合成及应用提供基础信息，本文利用十个含N、O原子的多齿配体设计合成了二十七个未见文献报道的过渡金属配合物，并解析了它们的晶体结构：其中包括首例μ〓-草酸根的四核铜配合物；合成了两个具有μ〓-OH〓三核缺角立方烷结构的Cu配合物；以HCBP衍生物为配体合成了七个过渡金属配合物；以SCN〓、N〓，C〓O〓等为桥联配体，以dmpyen为端基配体合成了十一个配合物。

The results show that the transition between HOMO and LUMO in the three compounds is the electronic transformation from C1, C2, C3 and C4 to hetero-atoms (N atom in pyrrole, O atom in furan and S atom in thiofuran).

结果表明，这三种五元化合物HOMO到LUMO的跃迁是电子从C1、C2、C3和以转移到杂原子（毗咯中的N原子，呋喃中的O原子和噻吩中的S原子）上，并在6-31G水平上用单激发组态相互作用方法分别计算了三种物质的荧光光谱，所得计算结果与实验值基本符合。

With proper atomic coherence, the performance has the following advantages compared with that of the velocity selection of the ultracold two-level atoms by the micromaser: high resonant transmitted efficiency, low unresonant transmitted efficiency, and large velocity selection scale. The second part includes the fifth chapter.

原子透射几率只受到一种量子干涉效应的影响，其来源为V型的两个跃迁通道，因此Micromaser对入射超冷V型三能级原子束速度的选择性能深深地受到原子相干性的影响，我们发现选取适当的原子相干参数以及其它参数，速度选择性能可以达到很理想的状态：共振原子透射效率高、透射原子束的速度纯度好、速度选择范围大。

It is shown that the atoms from trapped state in Bose-Einstein condensate excited to untrapped states by two-mode radiation frequency maintain properties of coherent states.

结果表明：在光场作用下，V型三能级原子BEC中被激发到非俘获态的原子，仍保持其相干态的特性，从而在理论上证明了利用V型三能级原子BEC与双模压缩相干态光场相互作用可以产生双模原子激光。

Based on the analysis of the Jahn-Teller effect, vibronic interaction and the resolution of group representations, the possible geometrical configurations of 〓 have been derived for the first time. The Gaussian-98 program has been used to optimize the geometrical configurations of 〓 based on B3LYP/6-311G method. It is found that there are at least six different stable geometrical configurations for 〓 The results show that the multiplicity of 2S＋1=7 for cluster 〓 is the most stable state among the eight geometry configurations.

基于多体项展式理论方法，研究得到了〓、HZrCo和〓三原子分子的分析势能函数，这些分析势能函数正确反映了它们的结构特点，可用于研究HZrCo、〓和〓的微观分子反应动力学。3从群的分解与直积理论出发，通过Jahn-Teller变形，vibronic相互作用以及群表示的分解的分析，首次导出了Jahn-Teller效应引起D〓和〓构型〓分子几何构型变化及其可能的电子状态。

This invention relates to a method and device for generating cold atomic beam. Said method includes heating hot atom source in vacuum chamber to form atomic saturated vapor pressure atmosphere, cooling hot atom by three-D MOT to below 200uk and trapped to form cold atomic cloud, by the quarter wave plate reflection mirror in MOT the laser radiation pressure being unbalanced to make cold atom emitting along said direction, four tape arranged straight line set with contrary current direction is set in atom beam emission direction, which makes the atom emitted to forward to obtain cold atom beam with low speed, large flux and small transverse speed, laser beam vertical with atom beam set in the direction of cold atom emitting for atom beam state preparation to realize state concordant emitted cold atom beam.

本发明涉及一种冷原子束产生方法和装置，该方法包括在抽真空的真空室内，加热热原子源，在真空室中形成相应的原子饱和蒸汽压气氛；采用三维MOT对热原子进行冷却，冷却到200μk以下，并被捕获形成冷原子云团；通过三维MOT中开小孔的四分之一波片反射镜，而使得在该方向上激光辐射压力不平衡，使冷原子沿此方向出射；在冷原子束出射方向上，还置有载有彼此电流方向相反的四根成锥形排列的直导线，从而原子出射时将在磁场的作用下，不会沿横向膨胀而向前射出；便得到了出射速度低的、通量较大的、横向速度非常小的连续冷原子束；同时在冷原子束的出射方向上，设置有与原子束垂直的激光束，用于原子束的态制备，实现态一致的出射冷原子束。

Under an appropriate condition, the squeezed vacuum field can trap the two atoms inri.An analytical expression of emission spectrum for three-level atom interacted with two-mode cavity field is given. The effects of the initial state of system on the emission spectrum for three-level atom are explored.

我们给出了好腔中与双模腔场相互作用的三能级原子发射谱的一般表达式，探讨了系统初态对三能级原子发射谱的影响，阐明了只有原子和双模驱动场初始时刻均处于相干叠加态，原子不同跃迁通道间的量子干涉才使得原子发射谱呈现相位敏感性。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。