查询词典 molecule

For the stepwise mechanism, the ethylene molecule was firstly adsorbed at the Brnsted acid site via π-hydrogen bonding to form a stable complex, which then went through the protonation, leading to the formation of the ethoxide intermediate. Furthermore, the ethoxide reacted with the second ethylene molecule to form the butoxide product.

对于分步反应机理，乙烯分子首先通过π-氢键作用在酸性位形成稳定的吸附络合物，再进一步发生质子化并生成乙醇盐中间体，随后乙醇盐与第二个乙烯分子发生碳－碳键结合形成丁醇盐产物。

Therefore, the previous data of heats of formation of polynitrocubanes estimated from groupadditivity method are corrected.3. Calculations indicate that, for polynitrocubanes, there are parallel relationships between their experimental kinetic acidities pKa, the average s characters in the exocyclic carbon orbital used for the C-H bonds within each molecule, and the average C-H stretching frequencies within each molecule.

计算结果表明，多硝基立方烷的实验动力学酸性pK_a、分子内用于形成C-H键的环外碳轨道平均s成分和分子内的平均C-H伸缩频率之间，存在平行的递变关系，这对基于s_a或v_a的数值预估动力学酸性pK_a、进而指导多硝基立方烷和其它相关化合物的合成有助。

Therefore, the previous data of heats of formation of polynitrocubanes estimated from groupadditivity method are corrected.3. Calculations indicate that, for polynitrocubanes, there are parallel relationships between their experimental kinetic acidities pKa, the average s characters in the exocyclic carbon orbital used for the C-H bonds within each molecule, and the average C-H stretching frequencies within each molecule.

计算结果表明，多硝基立方烷的实验动力学酸性pK_a、分子内用于形成C-H键的环外碳轨道平均s成分和分子内的平均C-H伸缩频率(来源：AB0eC论文网www.abclunwen.com)之间，存在平行的递变关系，这对基于s_a或v_a的数值预估动力学酸性pK_a、进而指导多硝基立方烷和其它相关化合物的合成有助。

Thus gp130 is the common signal transduction molecule. Gp130 molecule expresses universally on many tissues including immune system, hemapoietic system, and nerve system. Gp130 has an essential role in the function and regulation of the above systems, especially in the development of hemapoietic system. The signal transduced by gp130 is necessary during the differentiation and proliferation of hemapoietic cells. It is evidenced that the embryo of gp130 gene-knockout mouse was dead due to a serious impediment of the development of hemapoietic system.

Gp130在人体组织细胞上广泛性表达，介导和调节机体的免疫、造血以及神经系统的生理功能，尤其是在造血系统的发育过程中，具有极其重要的作用，动物实验表明，敲除小鼠的gp130分子基因可以使其在胚胎的早期阶段产生严重的造血系统障碍，最终导致流产，由此表明在造血细胞的分化、发育和生物学行为中，gp130介导的信号是必不可少的。

This research is built on a model that classifies the bio-molecules into two systems,harmonic oscillators and bipolar inharmonic oscillators. It discusses the local interaction of laser on certain links and bonds of bio-molecule by using quantum mechanics based on laser theory and bio-molecule structure.

在对激光和生物分子结构及其运动特性进行研究的基础上，将生物分子的按&谐振子&和&偶极非谐振子&模型处理，用量子力学讨论了激光与生物分子某些链、键的局域相互作用。

In order to know irradiant dynamic process we must have excitation crosssection of electron collision with molecule. Incident electron energy is inintermediate range. At low energy, there are several good methods thatcalculate electron collision with molecule for example Variation, R-matrix.

此时入射电子的能量已经达到中能，在低能范围内的电子与分子散射有许多好的方法如变分法、R-矩阵方法，在高能范围内利用Born近似等方法也能得到满意的结果，在中等能量范围的电子与分子碰撞则没有相应的成熟的方法，使用比较多的是密耦(Closing-Couple)方法，这种方法将相互作用势分为静态势、交换势、极化势，在耦合态的选取上比较自由，可以根据实际的问题及分子的特性选取耦合作用比较强的通道，这样既能保证精度又能减少计算量。

It has been found that the cation exchange on diffusivity may play the role in different ways for different zeolites. When the diameter of the diffusant molecule is much smaller than the pore or cage size of the zeolite, the influence of exchanged cations is mainly by way of altering the electric field intensity (or the density of electric charge), the large the Z/r of the exchanged cations, the smaller the diffusivity; while the diameter of the molecule is apporsi- mately equal to the pore or channel size of the zeolite, the exchanged cations may affect the diffusivity by means of blocking up or narrowing the channels of the zeolite.

金属阳离子交换对扩散的影响表现为：当扩散分子的直径比分子筛孔道直径小得多时，交换阳离子以改变分子筛内部电场强度或电荷密度的方式影响扩散速度，阳离子的Z/r越大，扩散系数越小；当扩散分子直径与分子筛孔道直径相近时，交换阳离子则因堵塞或窄化孔道而改变分子的扩散速度。

The lower electronic excited and ground states of NaK molecule, excluding the 61∑+ state, were widely studied in the spectroscopy of NaK molecule. The 6 ∑+ state was recently discovered. It has a double-minimum structure.

在NaK分子的光谱学研究中，除了6~1∑~+态以外，其它较低的电子激发态和基态都被广泛地研究过。6~1∑~+态最近被发现，它有一个双阱结构。

A new method for ab initio energy partition is being developed in order to gain new insight into the nature of electron delocalization, and it is able to provide any molecule with a fragment MO basis set in which the π and σ systems have been separated out no matter whether molecule is planar or nonplanar as well as whether the π system is conjugated or cumulated.

我们的方法可以为任何一个共轭分子(无论是平面的还是非平面的，是含共轭双键的还是含累积双键的)，提供一个π与σ体系彻底分离的片断分子轨道基组。这个轨道基组不仅满足分子特殊的对称性，而且还具有确切的电子占据数。

The structure analysis indicates that the reverse symmetry ligand H4LB molecules are linked into a 2D supermolecular network by two types of hydrogen bonds. One type occurs between the oxalamide oxygen group and the phenol hydroxyl qroup of the nearest molecule with d=2.906(2) and ∠O-H…O=151.8°. The other type is between the oxalamide nitrogen group and the oxalamide oxygen group of anther molecule with d=2.849(2),∠N-H…O=158.7°.

晶体结构研究表明配体H4L为顺式桥联分子，晶体中存在两种氢键，一种是草酰胺基团的O原子与苯环上的酚羟基形成O-H…O氢键[d=2.906(2)，∠O-H…O=151.8°]；另一种是草酰胺基团的氨基与相邻草酰胺基上的O原子形成N-H…O氢键[d=2.849(2)，∠N-H…O=158.7°]，通过上述两种氢键将化合物H4LB连接成二维网络结构。

In the days of sailing vessels the crew were afraid they would be becalmed on the ocean.

在使用帆船的时代，船员们担心他们会因为无风而无法在海洋上航行。

As long as foreign donors pay the PA's salary bill, few expect a new intifada.

只要外国继续为巴权力机构的薪水买单，希望发动新暴动的人便寥寥无几。