分子性

In chapter three, molecular imprinting chiral stationary phases against amino acid derivatives utilizing 2-vinylpyridine+acrylamide (2-VP+AM) as combined functional monomers were prepared. Comparing combined functional monomer 2-VP+AM with AM and methacrylic acid+2-VP, the former, 2-VP+AM showed higher imprinting ability. Explanation was given according to the compatibleness between the functional monomer and the imprinted molecule.

第三章系统考察了复合功能单体2-乙烯基吡啶+丙烯酰胺制备氨基酸衍生物分子烙印手性固定相的情况，发现复合功能单体2-乙烯基吡啶+丙烯酰胺烙印体系与丙烯酰胺及复合功能单体2-乙烯基吡啶+甲基丙烯酸烙印体系相比，对氨基酸衍生物表现出更好的烙印能力，验证了功能单体与烙印分子之间存在着匹配性的观点。

With the application of Partial Least Square technique and the input need of only 2-D molecular structure, it overcomes the difficulty of conformer alignment for 3D-QSAR techniques and avoids the multiple collinearity for traditional Multiple Linear Regression.

本文应用基于分子全息的QSAR技术研究了联苯以及209种氯代同系物的水溶解度、正辛醇水分配系数、总分子表面积、水活度系数和亨利常数等5种与生物累积性有关的理化性质以及气相色谱相对保留时间，建立了一批具有高度预测性的QSAR模型。

It is found that the dihedral angle in the two kinds of molecules were affected by the formation of the nanotubes, as a result, the CD spectra are different.

制备了手性分子二—2—萘基吡咯醇及--2，2'-甲氧基-1，1'-联二萘的纳米管，发现纳米管结构的形成对手性分子的二面角产生一定影响，进而影响其圆二色谱。

A large number of bond-type complexes, as long as the hydrogen of the molecules covalently coupled to the molecular approach in an electronegative atom up, that constitutes a hydrogen bond, there are intramolecular hydrogen bonds and intermolecular hydrogen bonds of the points, will affect the formation of complex reaction carried out, such as in solution adding dioxa cyclohexane, or tetrahydrofuran, will reduce the alkylation reaction rate.

氢键型络合物为数众多，只要含氢的分子以共价键方式耦合到分子中一个电负性原子上去，即构成氢键，有分子内氢键和分子间氢键之分，络合物的形成将会影响反应的进行，如在溶液中加入二氧杂环己烷或四氢呋喃，都会降低烷基化反应速率。

Though the result was not so good, a general understanding of the problems lying in the manufacture process of the device was gotten.We found the symmetry was destroyed or decreased in the crystal structure of symmetrical star-shaped molecules, such as tetra(4-cyanophenoxymethyl-methane, tetra(N-pyrrolemethyl)methane, and a center of charility was self-formed.

本文发现，原本高度对称的星状分子，在晶体结构中，分子对称性破坏或降低，表现为手性分子；以四(4-氰基苯氧基甲基)甲烷为例，从分子间氢键作用的角度，解释了该现象形成的原因。

We found the symmetry was destroyed or decreased in the crystal structure of symmetrical star-shaped molecules, such as tetra (4-cyanophenoxy methyl -methane, tetra (N-pyrrolemethyl) methane, and a center of charility was self-formed. The phenomena was discussed by analyzing the intermolecular hydrogen-bonding interactions of tetra (4-cyanophenoxy methyl -methane.

本文发现，原本高度对称的星状分子，在晶体结构中，分子对称性破坏或降低，表现为手性分子；以四（4-氰基苯氧基甲基）甲烷为例，从分子间氢键作用的角度，解释了该现象形成的原因。

The C30 carbyne trefoil knot studied is intertwined by the sp hybridized15 chain, which is topologically chiral and belongs to D 3 point-group of symmetry.

三叶结分子是最简单的非平凡纽结分子， C30卡宾三叶结分子是由一条闭合的15 sp杂化碳链组成的，是具有 D 3对称性的拓扑手性分子。

The trefoil is known as the simplest nontrivial molecular knot. The C30 carbyne trefoil knot studied is intertwined by the sp hybridized15 chain, which is topologically chiral and belongs to D3 point-group of symmetry.

三叶结分子是最简单的非平凡纽结分子，C30卡宾三叶结分子是由一条闭合的l5 sp杂化碳链组成的，是具有D3对称性的拓扑手性分子。

As mentioned above, this dissertation can be divided into two parts. One is devoted to study the high resolution ro-vibrational spectra of some asymmetry top molecules, such as D〓O and DOCl. Another is about studying anharmonic force field and vibrational intensities of some symmetry top molecules by quantum chemistry method, such as SiHCl〓 and AsH〓.

因此本论文的工作以此为脉络分为两个部分，第一部分以D〓O和DOCl分子为体系，研究非对称陀螺分子的高分辨振转光谱；第二部分以对称陀螺SiHCl〓和AsH〓分子为体系，用量子化学计算的方法研究了小分子的非谐性力场和振动光谱强度。

The results of this work indicate that the humic macromolecule is composed of many humic molecules with different relative molecular mass and chemical compositions. These humic mo lecules are probably the humified products of various compounds in different hum ification processes. This implies the heterogeneous and complex compositions of the humic acid geomacromolecules.

本研究结果不仅说明环境中的腐殖酸分子是由许多相对分子质量不同、结构性质各异的腐殖酸分子组成，而且这些腐殖酸分子可能与腐殖酸形成过程中各种来源的物质在不同阶段的腐殖化产物有关，表明了腐殖酸类地质大分子物质的非均一性和复杂性。

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。