单原子的

It indicates that the formation of NO dimer is favorable to the NO direct decomposition on the copper surface. The Mülliken population analysis shows that the average charge on Cu is 0.66 e, when the singlet state dimer interacts with the copper.

同时电荷布居分析表明，单重态的二聚体与铜作用时，铜原子上的平均电荷达到0.66e，说明在这种吸附形式中铜被离子化的倾向较大，而且这种吸附形式最有利於NO的分解。

The Monte Carlo method is used to electronic distribution in electron cloud and electron diffraction. The distribution graphes of the electron cloud in atom and molecule are drawn and the phenomenon of the electron diffraction from a single slit or a small aperture is simulated vividly.

运用蒙特卡罗方法处理了电子云和电子衍射中非均匀电子的产生问题，形象的绘制了原子、分子中的电子云分布图形，生动的模拟了单缝电子衍射实验现象。

So the catalytic activity of various amorphous alloys not only depended on the loading quantity but also depended on the metalloid state surrounding metal atom.

不同种类的非晶态合金的催化性能不能单以负载量衡量，要以金属原子周围的类金属环境来确定。

The following experimental results are obtained:(1) Through the dissociation and ionization of sodium amide in a shock tube with a magic hole to provide sodium ions and electrons, the three-body recombination rate coefficient of sodium ion with electron is determined under the condition of argon atoms acting as the third body in the collision process:〓. The experimental temperature range is from 1400 to 2700K, extending the limitation of the flame method.

实验获得了如下结果：（1）在魔洞型单脉冲激波管上以氨基钠粉的高温分解和电离提供钠离子和电子，测定了以氩原子为碰撞第三体时钠离子与电子的三体复合速率系数〓，实验测量温度范围1400～2700K，拓宽了火焰方法测量结果的局限。

Free radicals develop when atoms in the body's cells have unpaired electrons, which can lead to damage to different parts of the cell, including DNA.

自由基发生是当身体细胞中的原子有单电子，能导致包括DNA在内的细胞不同部分的破坏。

The energetic and structural properties of SiH_2 adsorbed on single dimer vacancy of the Si(100)-c(4×2) surface, the structures of 0.5ML hydrogenated Si(100) surface and the deposition and diffusion behaviours of silicon adatom on the H-terminated Si (100) surfaces have been studied by using empirical tight-binding total energy calculations.

本文采用经验紧束缚近似方法研究了SiH_2在Si(100)-c(4×2)表面单空位处的吸附结构、0.5ML覆盖率氢化的硅表面结构以及附加硅原子在H-terminated Si(100)表面的沉积吸附行为。

The result is that both tin atoms are five-coordination, have a distorted trigonal bipyramidal geometry with an additional week interaction between another oxygen atom and tin atom.

分子中四个羧酸酯基有桥联双齿和单齿两种不同的配位模式；在内环锡和外环锡的配位单元中，锡均形成具有五配位的畸变三角双锥配位构型，同时另有一氧原子与中心锡原子之间有弱相互作用。

Crystal structural analysis reveals that, because water molecules bond to Cu atoms, the dhbd ligand can only adopt a hydroxyl oxygen atom to bridge two reversed U-shaped subunits into a novel centrosymmetric dual-U-shaped tetranuclear Cu structure. Each U-shaped frame consists of two crystallographically distinct Cu atoms, two dpphen ligands and one coordinated water molecule.

晶体结构分析表明，由于水的配位阻断， 2，3-二羟基丁二酸根仅通过单羟基氧桥联两个U形双核亚单元形成具有一个对称中心的双U形四核结构，其中U型亚单元包含晶体学上不对称的2个Cu原子、1个2，3-二羟基丁二酸根、2个4，7-二苯基-1，10-邻菲咯啉和1个配位H2O分子。

The CH〓 atmosphere-prepared FeNi panicles have single phase of austernite due to the effect of carbon atoms in CH〓 to stabilize austernite.

在CH〓气氛下制备的Fe-Ni超微粒子为单相奥氏体，这是由于CH〓分解的C原子具有促进奥氏体化的缘故。

With the development of molecular-beam epitaxy and microfabrication techniques, people can arrange the atoms and moleculars at will and make various zero-dimensional, one-dimensional and two-dimensional systems even single molecular devices.

随着分子束外延等超薄生长技术和精细束加工技术的不断发展和完善，使人们能够按照自己的意愿排列原子、分子，制备出各种各样的零维、一维和二维纳米结构，甚至单分子器件。

They weren't aggressive, but I yelled and threw a rock in their direction to get them off the trail and away from me, just in case.

他们没有侵略性，但我大喊，并在他们的方向扔石头让他们过的线索，远离我，以防万一。

In slot 2 in your bag put wrapping paper, quantity does not matter in this case.

在你的书包里槽2把包装纸、数量无关紧要。