分子的

The phase of metabolism, in which large , complex molecules are built up from smaller, simpler ones, is called anabolism

代谢作用的这一方面，即由小的简单分子形成大的复杂分子的过程称为同化作用。

On the charge distribution of the benzene ring is investigated.

分子的电荷分布是分子在主要山静电控制的一些反应中的化学活性的重要指标。

From the view of thermodynamics, native complex is the structure with the lowest binding free energy.

通常热力学上认为生物分子的稳定构象是自由能最低的构象，因此，分子对接的目的就是找到能量最低的构象。

From the view of thermodynamics, native complexis the structure with the lowest binding free energy.

通常热力学上认为生物分子的稳定构象是自由能最低的构象，因此，分子对接的目的就是找到能量最低的构象。

The structures and properties of nine derivatives, which are formed between two or three cations and the three active sites of the most stable glycine conformer, have been probed; And the binding strength between the different active sites of glycine and different cations have been compared in BSSE method.33. The activation parameters, coupling matrix element and so forth of Fe4+Gly system have been investigated with the hereto-exchange model and calculation scheme for weak coupling system.

鉴于一个甘氨酸分子就具备三个活性位和人体中大量阳离子的存在，在上述考察了甘氨酸分子的某一活性位结合了一阳离子之后，进一步探讨了其余两个活性位再与一个甚至两个阳离子继续作用所形成的九种衍生物的结构和性质。

All of these features are more pronounced with increasing conjugation chain length.

随着分子链长的增加，分子的上述性质随外电场的变化都得到了进一步的加强。

The cyclopentane was study by EMS. The valance orbital can not be entirely distinguished, due to the energy resolution of the spectrum, but the detailed information of the momentum profiles can be obtained by theoretical calculation.

对环戊烷分子的电子动量谱学研究受谱仪分辨率的限制，从电离能谱中不能分辨环戊烷分子的每一轨道，但理论计算可以得到各价轨道的束缚能、电子动量谱等信息。

The studies of the electronic structure of small-saturated hydrocarbon molecules have received much interest, this is because these molecules are prototypes of larger hydrocarbons. In thesis, the structure of the isobutane and cyclopentane were studied by using Hartree-Fock and density function theory with the Gauss basis set, the experimental ionized energy data of the isobutane were analyzed.

有机分子结构的研究是复杂有机系统研究的基础，论文用Hartree-Fock方法和密度泛函理论研究了异丁烷和环戊烷分子的电子结构，并对异丁烷分子的实验电离能谱进行了分析。

The calculated results show that the most stable structures of C 5H 10NH(NH 3) n are one linear hydrogen-bonding, three-cyclic and four-cyclic structures for n=1, 2, 3, respectively. At MP2/6-31G//B3LYP/6-31G level, the MO population analysis of the most stable configurations C 5H 10NH(NH 3) n(n=1—3) has been employe...

在 MP2 /6 - 31G //B3LYP/6 - 31G水平下，对最稳定构型 C5 H10 NH( NH3) n ( n=1～ 3)的分子轨道进行布居分析，并且对相应的占据轨道进行指认。C5 H10 NH( NH3) n( n=1～ 3)垂直电离势的计算结果表明，形成氢键团簇后，分子的垂直电离势降低。

The calculation shows that two nitrogen atoms of C10H18N2O4Pt are of nucleophilic activity, meanwhile, the platinum atom of C10H18N2O4Pt is of electrophilic activity.

根据计算可知，分子中N16和N20原子有强的亲核活性，Pt19原子有强的亲电活性，得到了C10H18N2O4Pt 分子的HOMO轨道图和IR谱。

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。