分子

The differential and partial wave scattering cross sections of Ne-H2(D2,T2) collisions have been calculated by close-coupling approximation method using Tang-Toennies potential model at the incident energy of 83.8 meV.

使用密耦近似（Close-Coupling）方法、采用Tang-Toennies势模型计算了惰性气体原子Ne与H2分子及同位素D2分子在碰撞能量为83.8 meV时的微分散射截面及分波截面，并与实验值和文献值进行比较。

In order to testify our whether correction to Rossi's exchange term andthe potential of electron and nucleus is reasonable, we calculate 〓 moleculeelastic differential scattering cross section by electron impact on 100eV, ourresult is obviously better than Rossi's. Then we calculate elastic differentialscattering cross section at 150eV. In order to check the program thatcalculates molecule excitation cross section by electron impact, we calculatehydrogen excitation cross section from ground state to 〓 state at 20eVand 30eV, oxygen excitation cross section from ground state to 〓 state at15eV and 20eV. These calculations are in agreement with other theoreticresults, and experiment measure. Finally, we calculate sulfur moleculeexcitation〓 cross section by electron impact at5eV,7eV,9eV, 11eV, 13eV,15eV, and draw curve of excitation total crosssection corresponding to incident electron energy.

为了核对我们修改的计算激发态的程序是否正确，计算了电子与氢分子碰撞从基态激发到〓态入射能量分别为20eV和30eV时的微分截面以及电子与氧分子碰撞从基态激发到〓态入射能量分别为15eV和20eV时的微分截面，与别人的理论计算结果、实验的测量值基本一致，最后计算了电子与硫分子在5eV、7eV、9eV、11eV、13eV、15eV时的碰撞激发〓截面，作出了电子的入射能量与激发总截面的关系曲线，找出了总截面最大时对应的电子入射能量大约是11电子伏。

Using the method we calculate the 〓 elasticdifferential scattering cross section, excitation differential scattering crosssection, and excitation cross section of electron collision with 〓 We transform the electron and molecule problem into electron problemby Born-Oppenheimer approximate. Mr Rossi, Dr. the Flinders University ofSouth Australia, calculated electron collision with molecule, but theexchange term he used become bigger and bigger as incident energyincreases, it is unreasonable, besides, the potential of electron and nucleus heused is somewhat rough. At present we correct these two terms. The potentialconsists of static potential, exchange potential, polarization potential.

电子与分子的碰撞过程的相互作用势主要是由静态势、交换势和极化势三部分决定的，这里对这三部分在动量空间中进行分波展开，推导出易于计算的表达形式，根据这些公式，并参考Rossi的弹性碰撞程序编写了计算电子与分子碰撞激发截面的程序，利用程序计算出势能矩阵元，通过求解Lippmann-Schwinger方程求得T矩阵元，便可求得散射截面。

No time counter method is used to select collision molecules and diffuse reflection model is used to simulate the collision between molecules and body surface.

采用NTC方法对分子碰撞对进行抽样碰撞处理，分子与物面的碰撞则采用了漫反射模型进行处理。

For example, much longer water hydrogen bond life time, much slower diffusion constant of water molecules near both hydrophobic and hydrophilic surfaces, together with a depletion layer in the vicinity of hydrophobic surface were observed.

我们发现，在这种疏水表面附近，水分子的氢键维持时间显著增长，水分子的扩散系数明显下降，并且观察到在疏水表面附近的排空层。

Equilibrium Molecular Dynamics Simulation was performed for water to calculate its diffusivity by using different potential models.

本文选用平衡分子动力学模拟方法，应用不同的势能模型对强极性分子水的扩散系数进行了模拟计算。

It is found that the dihedral angle in the two kinds of molecules were affected by the formation of the nanotubes, as a result, the CD spectra are different.

制备了手性分子二—2—萘基吡咯醇及--2，2'-甲氧基-1，1'-联二萘的纳米管，发现纳米管结构的形成对手性分子的二面角产生一定影响，进而影响其圆二色谱。

Dip Pen NanolithographyTM is a nanoscate patterning technique in which a microfabricated probe with a molecule-coated, sharpened tip delivers molecules while in contact with and translated across a sample substrate.

蘸水笔纳米印刷术是通过一个携带涂敷分子的微修饰探针的尖锐笔尖将分子通过接触传递到样品底物上去的一种纳米图形技术。

The kinds of nuclear protein-coding genes were more than ribosome genes in insect phylogenetic analyses, but most of them were only applied to phylogenetic analyses of Diptera and Lepidoptera,and few gen...

与核糖体基因相比，虽然编码蛋白的核基因应用于昆虫分子系统学的种类不少，但大部分都是应用于双翅目和鳞翅目昆虫的分子系统学研究中，能够成功地普遍用于多个目昆虫的系统学研究的核基因并不多。

Based on electro-characteristic and double electric layers models, directional mechanisms of soy protein molecular are analyzed for the first time on DC heating condition. After the main factors which effect soy protein gels transparency and strength being studied on DC heating condition, the different affects on soy protein gels transparency and strength by DC heating and water bath heating are analyzed and compared, and the transparent mechanisms of soy protein gels are further explored. In addition to temperature action as water bath heating, DC heating is added as electric field directional action. As a results, heating rate is increased. Directional range degrees of soy protein molecules are raised. These advantage the increase of soy protein gels transparency and strength. Microstructures of soy protein gels forming on DC heating condition are observed by SEM and the results showed that ordered structure of transparent soy protein gels on DC heating condition is more ordered than that of transparent soy protein gels on water bath heating condition.

首次从大豆蛋白的电特性和双电层模型上分析了直流电加热条件下，大豆蛋白分子定向的机理；通过对直流电加热条件下影响大豆蛋白凝胶透明性和强度主要因素的研究，分析和比较了直流电加热与水浴加热对大豆蛋白凝胶透明性和凝胶强度的不同影响，又进一步探讨了大豆蛋白凝胶透明的机理；直流电加热除了水浴加热中的温度作用以外，又增加了直流电场的定向作用，提高了加热速率，提高了大豆蛋白分子定向排列的程度，有利于蛋白质凝胶透明性和强度的提高；利用SEM对电场下大豆蛋白凝胶微观结构的观察，进一步证明了直流电加热比水浴加热形成的透明大豆蛋白凝胶微观结构具有更高的有序性。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。