单原子的

Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

为了明确地考虑和处理分子中存在的化学键，以便能够更好地描述体系中的电荷分布进而准确地描述分子体系中的有关物理化学性质，尤其是与化学键有关的物理化学性质，我们在密度泛函理论和电负性均衡原理基础上提出了原子-键电负性均衡模型，原子-键电负性均衡模型的主要内容是：(1)考虑到分子体系中存在各种化学键这个事实，将分子空间看成是由原子区和化学键区组成的，将分子的单电子密度表达成为分子中各组成原子的单电子密度和各化学键的单电子密度的加和，从而得到了原子-键电负性均衡模型的基本方程：分子体系总能量〓和分子中原子电负性〓和化学键电负性〓表达式。

The method involves exposing the cells to a compound having the formula I in which: w is a nucleic acid x is a non-amino acid or non-peptide nucleic acid binding group y is a spacer having a chain length equivalent to 1-30 carbon-carbon single covalent bonds or is absent R4 is H or halogen or CH2O-R3; and R1, R2 and R3 are the same or different and are either hydrogen, methyl, ethyl, alkyl, alkenyl, hydroxylated alkyl, hydroxylated alkenyl groups or ether containing alkyl, alkenyl, hydroxylated alkyl or hydroxylated alkenyl groups optionally being an acyl group having a carbon chain length equivalent to 3-24 carbon atoms saturated or unsaturated, with the proviso that at least one of R1, R2 or R3 includes a group having a carbon chain of 3-24 carbon atoms saturated or unsaturated, or to a compound having the formula II in which: w is a nucleic acid x is a non-amino acid or non-peptide nucleic acid binding group y is a space having a chain length equivalent to 1-30 carbon-carbon single covalent bonds or is absent, R5 is alkyl, alkenyl, hydroxylated alkyl, hydroxylated alkenyl group or ether containing alkyl, alkenyl, hydroxylated alkyl or hydroxylated alkenyl group optionally being an acyl group having a carbon chain length equivalent to 3-24 carbon atoms saturated or unsaturated, with the proviso that R5 includes a group having a carbon chain of 3-24 carbon atoms saturated or unsaturated.

该方法包括使细胞暴露于具有式的化合物，在式中：w是核酸，x是非氨基酸或者非肽核酸结合基团，y是具有等于1―30个碳―碳单共价键的链长的间隔基或者不存在，R4是H或者卤素或者CH2O－R3；R1、R2和R3是相同的或者不同的并且是氢、甲基、乙基、烷基、链烯基、羟基化烷基、羟基化链烯基或者包含烷基、链烯基、羟基化烷基或羟基化链烯基的醚，任选地是来源于具有等于3―24个碳原子的碳链长的饱和或不饱和脂肪酸的酰基，其条件是R1、R2或者R3的至少一个包括具有3―24个碳原子的饱和或不饱和碳链的基团，或者使细胞暴露于具有式的化合物，在式中：w是核酸，x是非氨基酸或者非肽核酸结合基团，y是具有等于1―30个碳―碳单共价键的链长的间隔基或者不存在，R5是烷基、链烯基、羟基化烷基、羟基化链烯基或者包含烷基、链烯基、羟基化烷基或羟基化链烯基的醚，任选地是具有等于3―24个碳原子的饱和或不饱和碳链的链长的酰基，其条件是R5包括具有3―24个碳原子的饱和或不饱和碳链的基团。

Monosaccharides are classified according to (1) the number of carbon atoms present in the molecule and (2) whether they contain an aldehyde or keto group, thus a monosaccharide containing six carbon atoms is called hexose; a monosaccharide containing an aldehyde group is called aldose; and one containing a keto is called a ketose.

单糖的分类按照（1）分子中碳原子的数目（2）是否含有一个醛基或酮基，因此一个单糖含有6个碳原子叫做己糖；一个单糖含有醛基叫醛糖；含有酮基叫酮糖。

To conduct such research a new experimental apparatus was established.With this setup the two-photon excitation spectra of Barium and one-photonexcitation spectra of Strontium Rydberg atoms were recorded and identified.The Stark spectra of Strontium atoms showed the "l-mixing" and "n-mixing"features. By changing laser wavelength and external electric field strengthsimultaneously, the scaled-energy spectra of Strontium 〓 Rydberg atomsat constant scaled-energy ε=-3.00,-2.50 and -1.88 were recorded for thefirst time. The experimental spectra were Fourier transformed and yielded therecurrence spectra.

主要工作包括：建立了一套用于外电场原子光谱研究的原子束实验装置；获得了Ba原子的双光子、Sr原子的单光子零场激发谱，并对各谱线进行了标识；进行了Sr原子电场Stark效应研究，观察到了低场时能级角量子数"l"混合区及高场时主量子数"n"混合区的存在；首次获得了Sr原子在标度能量ε=-3.00、-2.50及-1.88时〓高Rydberg态电场标度能谱及傅立叶变换后的电子回归谱。

At the temperature as low as that at which the monomer cannot diffuse in large scale,adatom nucleation and island formation depends on the increase of adatom density.With the increase of temperature,the film growth mode depends on the competition between in-plane diffusion and inter-layer diffusion of monomers.

当薄膜生长温度低于单原子的扩散温度时，表面原子的成核和表面岛的生长主要是由沉积原子的空间随机性和表面原子密度增加而决定的，随着薄膜生长温度的提高，薄膜的生长模式则取决于单原子的层内扩散和层间扩散的竞争。

Halogenated aromatic compounds with great q〓(the most negative net atomic charges on an atom of the molecule), ENC (electron-nuclear attraction energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), qc (thenet atomic charges on the carbon atom of the weakest carbon-halogen bond) and E〓 tend to be reductively dehalogenated slow, while halogenated aromatic compounds with high values of △E (the difference of front-line orbital energy), EEC (electron-electron repulsion energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), Mw, q〓 and α tend to be reductively dehalogenated fast.

卤代芳烃化合物的整个分子的最负的原子净电荷，键序最小的碳卤键中碳原子的单中心项电子-核吸引能，该碳-卤键上碳原子的净电荷和E〓与该卤代芳烃化合物还原脱卤的速率常数负相关；而前线轨道间隙能，键序最小的碳卤键中碳原子的单中心项电子-电子推斥能，Mw，q〓和α与该卤代芳烃化合物还原脱卤的速率常数正相关。

This work offers a large number of data which can be used to analyze and compare with experiment values in the future.It bulids a theory platform for the later research of elements.Positron annihilation in several carbon allotropes has been studied.The results show that:Positron mainly annihilates in the interspace between layers in the single crystal of graphite.

元素单晶中的单空位附近的束缚态正电子寿命计算时与实验结果比较一部分符合的很好，还有一部分单空位附近的束缚态正电子寿命值与实验结果比较相差较大，这可能是计算中固定了单空位的近邻原子，没有考虑单空位形成时周围原子的重新排布造成的，也可能是该方法的固有缺陷。

That accounts forwhy Ga clusters occupy both the half unit cells of the 7×7 in thegrowth process.

初步的第一原理计算表明单个Ga原子吸附在7×7单胞的两半具有几乎相同的吸附能(差别仅为5meV)，这意味着Ga原子会随机地占据7×7单胞的任意一半成核生长，从而Ga团簇对7×7单胞不存在优先占据的特性。

We have come to the following conclusions:(1) the existence of the monoatomic layer is conditional, it depends upon the temperature, surface structure and purity of the substrate as well as upon the vacuum environment;(2) the appearance, and sometimes disappearance, of the emission peaks is a problem for further study, and it can not be explained simply by the monoatomic layer...

关于时而能、时而又不能观察到的电子发射峰值，是一个有待于进一步明确的现象，不能简单地用单原子层和偶极子理论来解释；3。吸附了外界原子或分子使电子发射增加的事实，并不是由于偶极矩降低了基底的逸出功，发射的电子来源于被吸附物质的价电子；4。实验证明&L&阴极是Ba-O-W系统，它既不是单原子层，也不是单分子层，也不适用偶极子理论。

The hyperfine fields of Fe hexagonal-based atomic chains are presented, the equilibrium atomic distance and electronic structure are investigated, with the comparison of the bcc Fe, two-dimensional monolayers and one-dimensional monoatomic linear chains of Fe.

国际上首次研究了基于六角结构的Fe原子链的超精细场，给出了平衡原子间距，分析了电子结构，同bcc Fe，Fe单原子层和Fe单原子链的结果进行了比较。

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。