单原子的

It indicates that the N—O bonds in the singlet dimer adsorption configurations are weaker than any other structures, and this is propitious to the NO direct decomposition. 7. Unlike NO molecules interaction with copper atoms, when two NO molecules interact with the adjacent silver atoms, the non-planar structures are more stable than the planar.

同时，单重态的二聚体与相邻的金属铜和银原子作用时，由于电子从金属原子转移到二聚体上的数量最多，因此在这种吸附构型中，金属原子被离子化的倾向最大，同时使得二聚体中N—O键被削弱的程度也最大，有利于NO的直接分解； 7。

He population analysis proved the interaction between helium atom and V was electrovalent bond. The helium had the stronger attractive to the vanadium atom which was in lattice site.

i-He(o2)体系在四种Ti-He体系(两种八面体和两种四面体)中具有最低的能量，单点能为-6481.4287eV，Ti-He(t1)次之，单点能为-6480.3876eV，在Ti-He体系中氦原子嵌入到o2位置具有更趋稳定的结构。

The bulky ortho-brominated aryl groups are implanted to create nonplanarity around amino center. Thus, the effective conjugation length to the protonation site is shortened and the energy gap between neutral and protonated forms is narrowed. The protonation can only occur at the nitrogen atom of the benzothiazole and the temperature variation disturbs the equilibrium between the neutral and monocation and the reverible thermochromic effect can thus be achieved.

在邻位的位置引入立体阻碍大的溴原子，进而控制质子化过程的酸碱平衡只发生在 benzothiazole 上的氮原子上，企图达到只有中性分子，与单阳离子两种稳定的形式存在，经由外界的刺激下，例如温度或酸的量的改变，促使逆反应的发生，而达到热致变色的效果。

The copper atom is in a planar coordination site of [N_2O_2] and it devites from the mean plane by only 0.80 pm. Byπ-πstacking interactions, a alabastrine structure was obtained.(2)Schiff-base complex [Cu(H_2O)]·H_2O, where H3GS is the 3-carboxyl -salicylidene glycine, was synthesized and characterized by elemental analysis, IR spectra and single-crystal analysis. The crystal belongs to monoclinic system, space group P2(1)/c, a=848.46(3)pm, b=681.54(3)pm, c=1967.16(8)pm,β=95.8210(10)°, Z=4, R_1=0.0279, wR_2=0.0724. The copper atom is in a square-pyramidal field with the base

结果表明该晶系属单斜晶系，空间群P2(1)/c，晶胞参数：a=848.46(3)pm，b=681.54(3)pm，c=1967.16(8)pm，α=90°，β=95.8210(10)°，γ=90°，Z=4，R_1=0.0279，wR_2=0.0724，Cu原子位于轻微变形的四方锥场底心，底面被氮原子、酚氧原子、甘氨酸羧基的一个氧原子和一个水分子氧原子占据，而甘氨酸羧基的另一个氧原子占据相邻分子的锥顶，因而形成一维链状结构；合成了单核双聚配合物Na_2[Cu_2_2]·2H_2O ，铜三核配合物Cu_3_2·5H_2O和铜锌异三核配合物ZnCu_2_2·5H_2O，并用元素分析，IR光谱，电子光谱和磁化率测定对配合物的组

Chapter 6 describes the collisional behavior between low-energy hydrogen atom with (5, 5) SWNT in detail.

第七章以两端封闭的（5，5）、（9，0）和（10，10）单壁碳纳米管为例，介绍了单壁碳纳米管的储氢能力和氢原子在单壁碳米管内的聚集过程，并从原子尺度上给出了清晰的图像。

The crystal is monoclinic,space group 〓, the ligand coordinates to Ni acetate in the enolic form,and produces a square complex.

单晶的结构是：晶体属于单斜晶系，空间群为〓，镍原子位于平面四方形配位中心，配体分子是以内式的烯醇式向镍原子配位的。

Mn(H_3biim)_2_2Cl_2 and Cd(H_3biim)_2_2Cl_2 have been synthesized from H_2biim, their structures were determined by X-ray crystallography. The two complexes have similar structures and both are neutral compounds. One N atom in H_2biim is protonated, forming a H3biim+ cation. The later is an unidentate ligand, the central metal, Cd or Mn is six coordinated and adopts a distorted octahedral environment.

合成了联咪唑锰配合物Mn(H_3biim)_2_2Cl_2和联咪唑镉配合物Cd(H_3biim)_2_2Cl_2，晶体结构表明这两个配合物结构相似，均为中性化合物，联咪唑的一个氮原子被质子化，形成一价阳离子(H_3biim~+)，它采取单齿配位，中心Mn原子是六配位，其配位环境为畸变的八面体。

Although benzene is often represented with alternating single and double bonds between carbon atoms, the electrons in the bonds are shared or delocalized in such a way as to make all carbon-carbon bonds alike .

虽然往往把苯描绘成碳原子之间按单、双键交替排列，但事实上键中的电子是共享的，或者说是非定域的，其结果是使所有的碳原子都是等同的。

Although benzene is often represented with alternating single and double bonds between carbon atoms, the electron s in the bonds are shared or delocalized in such a way as to make all carbon-carbon bonds alike.

虽然往往把苯描绘成碳原子之间按单、双键交替排列，但事实上键中的电子是共享的，或者说是非定域的，其结果是使所有的碳原子都是等同的。

Although benzene is often represented with alternating single and double bonds between carbon atom s, the electrons in the bonds are shared or delocalized in such a way as to make all carbon-carbon bonds alike.

虽然往往把苯描绘成碳原子之间按单、双键交替排列，但事实上键中的电子是共享的，或者说是非定域的，其结果是使所有的碳原子都是等同的。

I am accused of being overreligious," she said in her quiet, frank manner,"but that does not prevent me thinking the children very cruel who obstinately commit such suicide.""

客人们在卡罗利娜·埃凯家里，举止就文雅一些，因为卡罗利娜的母亲治家很严厉。

Designed by French fashion house Herm è s, this elegant uniform was manufactured in our home, Hong Kong, and was the first without a hat.

由著名品牌 Herm è s 设计，这件高贵的制服是香港本土制造，是我们第一套不配帽子的制服。