水分子

In this work,a full optimal calculation on the molecular geometry and electronic structure of C24H30O8 has been performed using density functional theory methods at B3LYP/6-31G* level.The solvent effects of C24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform,acetone,DMSO and water.

采用密度泛函理论方法，在B3LYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构；依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用；基于气相优化结构进行了B3LYP/6-31G*振动分析，用0.9613校正后的主要红外光谱与实验符合得很好。

In this work, a full optimal calculation on the molecular geometry and electronic structure of C24H30O8 has been performed using density functional theory methods at B3LYP/6-31G(superscript *) level. The solvent effects of C24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform, acetone, DMSO and water. On the basis of optimized geometry in gas phase the vibration analysis is carried out and the IR principle peaks scaled by 0.9613 are in good agreement with experimental.

采用密度泛函理论方法，在B3LYP/6-31G水平下全优化得到了该化合物的分子几何构型和电子结构；依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用；基于气相优化结构进行了B3LYP/6-31G振动分析，用0.9613校正后的主要红外光谱与实验符合得很好。

In this work, a full optimal calculationon the molecular geometry and electronic structure of C24H30O8 has been performed usingdensity functional theory methods at B3LYP/6 - 31G * level. The solvent effects ofC24H30O8 have also been investigated based on Onsager self-consistent reaction field model in chloroform, acetone,DMSO and water.

采用密度泛函理论方法，在B3LLYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构；依据Onsager自恰反应场模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用；基于气相优化结构进行了B3LYP/6-31G*振动分析，用0.9613校正后的主要红外光谱与实验符合得很好。

Cellulose in pulp is used as a raw material on which acrylic acid and acrylic amide are grafted when superabsorbent is polymerized.

采用纸浆纤维素为分子骨架，接枝丙烯酸及丙烯酰胺制备高吸水树脂。

The results showed that the partially folded chicken heart apocytochrome c has a highly dynamic hydrophobic core and also tends to aggregate, which is consistent with its folding tendency.

结果表明，部分折叠的鸡心脱血红素细胞色素c分子获得了一种高度动态的结构，形成了动态的疏水核心；同时，它也具有较强的凝集倾向。

The distance between the body and receptor and the efficiency of energy transfer were obtained to be 1.77 nm and 0.052 65 respectively, based on the theory of Frster nonradiative energy transfer.

根据Frster非辐射能量转移机理，求算出给体与受体间的作用距离和能量转移效率分别为1.77和0.052 65 nm，并结合热力学参数说明了叶酸分子与人血清白蛋白的作用以疏水作用为主，同时也存在静电引力。

In chapter 2,the bi-electrophilicity ofα-CAPAs(Gly-CAPA,Ala-CAPA) was identified by the isotope analysis ~(18O,~(15)N and furtherproved by trappingα-CAPA with nucleophiles such as water,amino acids,phosphateand methanol in alkaline media which yielded phosphorylated products,namely,theNPAAs and N-(mono-substituted)phosphoryl amino acids.

同时，CAPA和亲核试剂如水，氨基酸，磷酸和甲醇分子反应可以生成各种磷酰化产物，如NPAAs和N-磷上单取代的磷酰化氨基酸。

The component activity coefficients in systems of tributyl phosphate, diluents and water are calculated with the theoretical model for chainlike molecules derived in paper.

对链状分子体系用微扰理论模型计算了磷酸三丁酯、稀释剂和水体系的活度系数。

The permanence of its inks relies in part on dyes that react with the surface of the paper's cellulose fibres. Once written, they resist a variety of solvents known to be used by forgers, as well as more mundane solvents like water.

Noodler's Ink 的&防弹&原理在于他的染料分子能与纸面纤维发生反应，一旦书写，笔迹能抵抗几乎所有已知的文件伪造方法，例如最简单的浸水。

According to depositions of nanostructured silica in plants and chemically synthesized nanostructured silica sprayed into leaves and physical properties of leaf conferred by silica depositions as well, the first step reaction of high-specific supramolecular recognition process of fungi spores and host surfaces is discussed. Nanostructured silica can alter leaf physical properties including topography and hydrophobicity and affect extracellular matrix release and formations of germ tube, appressorium and penetration peg.

初步揭示了纳米结构SiO〓与植物真菌病害发生的关系：从化学合成的纳米结构SiO〓在叶表的沉积以及沉积之后赋予植物叶片独特的物理学特性入手，详细研究了纳米结构SiO〓抑止真菌孢子和寄主表面的高度专一性的超分子识别过程的第一步反应，从而提出纳米结构SiO〓可能改变植物叶表面原有的拓扑结构和疏水等物理学特性，即形成特殊的双亲性表面，影响真菌胞外物质的释放和芽管、附着胞及侵染钉的形成，阻断真菌孢子早期的侵染过程，从而确定靶向的真菌病害的控制措施。

But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊！不用提了。提到肉，真是糟透了。