分子的

The molecular electronic structures and dipole moments are calculated by use of density functional theory at ab initio level.

分子的电子结构和电偶极矩是基于密度泛函理论利用从头计算方法得到的。

Trehalose is a nonreducing disaccharide of glucose with an a, a -1,1 glycosidic linkage.

海藻糖是由两个分子的葡萄糖以1，1糖苷键连接而成的非还原性双糖。

Its acidic dissociation constant at ground and excited state are determined based on the changes of the absorption and fluorescence spectra in the water.

基于不同pH值水溶液中吸收和荧光光谱的变化，计算得该试剂基态和激发态分子的酸性常数（pKa＝ 8.84， pKa＝ 5.11）。

In this review we summarized the structure, distribution, and function of cell adhesion molecules involved in the periodontal diseases.

本文就细胞黏附分子的结构、分布、功能及其在牙周炎发生发展过程中的作用作一综述。

Lyase An enzyme that catalyzes the separation of two parts of a molecule with the formation of a double bond in one of them.

裂解酶：一类能催化一个分子的两部分分离，并在其中一个上形成双键的酶。

In the second part of the thesis,we study the symmetry group(point groupand its double group)of the polyatomic molecules.

在论文的第二部分，我们详细地研究了具有较大对称性分子的对称变换群及其物理应用。

In fact, the double-helical structure of DNA was deduced from crystallographic data.

DNA 分子的双螺旋结构就是通过晶体学实验数据发现的。

In addition, the mechanism and the progress of additives on cathode/electrolyte interphase are basically introduced.

此外，简单阐述了正极界面膜的形成机制以及正极界面膜形成功能分子的研究进展。

The electron affinity and ionization potential in La 2C n cluster were calculated.

用B3LYP/Lan1 2dz方法优化了La2 Cn(n =- 1 ，0 ，+1 )分子的结构，计算了La2 C的电子亲和势和离化能，并对计算结果进行了讨论。

With O-Fe-O-Fe-O and O-Cr-O-Cr-O being succedaneums of one dimension oxide film,the optimized geometry and electron energy level of these molecules were calculated by ab initio SCF/STO-3G.

以O-Fe-O和O-Cr-O-Cr-O模拟氧化膜的一维链，施行量子化学从头算（ab initio研究，得到了分子的稳定构型及电子结构。

The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了，排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意，我建议我们在价格上大家各让一半。