分子内的

The kinds of compounds with AIE, AIEE and CIEE are summarized, mainly including siloles, substituted ethenes (mainly including fulvene and DPDSB style), CN-MBE, pyran, biphenyl compounds and polymers.

侧重总结了silole型、取代乙烯型（主要包括亚甲基环戊二烯型和DPDSB型）、腈取代二苯乙烯型、吡喃型、联苯型等小分子化合物和少数高分子的结构与AIE性质之间的关系，以及为解释AIE现象所提出的限制分子内的转动、避免非辐射去活、构象扭曲避免形成excimer、J－聚集态以及形成分子间的C-H/π键等理论。

We has also probed into the effect of process stability by isocyanate index Ri in IPDI-N330 polyurethane reaction system.

发现Ri增大，分子内的作用力增大，乳液中分子趋于形成卷曲的团聚状，同时乳液的分子量分布变宽，散度增大。

Magnetic phenomenon is a physics phenomenon that we all known well. Magnetochemistry is a subject that studies promoting chemical reaction and effecting bond angel of molecules to vary and making resonance vibration of bond of molecule to produce hybrid complex by magnetic field.

磁现象是人们最熟悉的物理现象之一，磁化学是用磁场促进物质发生化学反应生成新物质及影响物质分子的键角而变异或使分子内的磁力键共振而产生共振杂化体物质的科学。

For intramolecular electron transfer reactions in solution,the fluctuations of the intramolecular vibrational modes are much faster than that of solvent mode.Thus,the reaction-diffusion equation is commonly used to describe the motion of solvent,with a sink function to treat the vibrational high-frequency mode.Based on this theory-so -called the Sumi-Marcus theory,we proposed an imaginary-time split operator approach to solve the reaction-diffusion equation.The approach is applied to evaluate the intermolecular ET rate between oxazine 1 and N,N-dimethlaniline.By measuring the two average survival times of the donor state probability and the rate constant in long time limit,the full kinetics of the ET is revealed with a variety of sink functions.

对于扩散控制的溶液中的电子转移反应，分子内振动模的运动比溶剂运动快很多，Sumi-Marcus理论提出用反应扩散方程(reaction-diffusion equation)处理溶剂的扩散运动，而分子内的振动用sink函数来表示，我们基于此理论发展了用虚时间分裂算符的方法(imaginary-time Split operator approach)解反应扩散方程，并将其应用于嗪1(oxazine 1，OX1)和N，N-二甲基苯胺分子之间的电子转移反应，Sink函数采用几种不同的微扰表达式，通过计算得到给体几率衰减的两种平均速率和长时间极限下的速率常数，揭示了该体系电子转移过程中的一些动力学性质。

4R,5S,6R-5,6-Bis-allyl-6-aldehyde-γ-hexanelactone I-145 was prepared from D-arabinose by six steps. Compound I-145 underwent Mukaiyama-type intramolecular aldolization to produce bicyclooctane I-147 stereospecifically.

我们以D-阿拉伯糖为起始原料，经六步反应，得到(4R，5S，6R)-5， 6-二烯丙氧基-6-醛基-γ-己酸内酯I-145，然后I-145发生分子内的Mukaiyama式aldol缩合反应，完全立体专一性地得到环化中间体I-147。

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。

DSC and WAXD studies showed that the block copolymers were meltable, and due mainly to the flexible nylon6 segments.

采用DSC热分析的方法，结合WAXD，研究发现，所合成的嵌段共聚物具有可熔融的性质，主要的转变来自柔性的尼龙链段；通过对聚合物空间立体结构的改造，分子链中间位结构的引入以及两嵌段组分分子间和分子内的相互作用强烈影响嵌段共聚物的结晶行为，使结晶更不完善，晶体结构更为疏松，自聚集倾向在很大程度上得到抑制。

The resultsshowed that one electron was photochemically transfered from rich electron part inside the C〓 derivatives to C〓 football. On the other hand,two step PET took place between C〓 and additional electron donor Et〓N, and so C〓anion as well as C〓 dianion could be detected in C〓/ Et〓N system.

结果表明：C〓衍生物分子内的富电子部分与C〓区域间发生分子内光诱导的一步单电子转移过程，对比而言，C〓分子与外加给体Et〓N间可相继发生两步光诱导电子转移反应，依次生成C〓和C〓阴离子自由基。

In contrast, deletion of the propeptide yields mature but inactive NK, the inclusion bodies of NK or denatured rNK couldn't be renatured in any condition, but with the aid of exogenously purified propeptide or Ser221Ala proNK, the inactive mature protein could be renatured by an intermolecular pathway in vitro.

此外，我们利用融合基因表达系统在大肠杆菌中高效表达了谷胱甘肽S-转移酶／NK和硫氧还蛋白／NK两种融合蛋白，经体外复性、纯化，均获得活性蛋白。以上结果显示，pro肽在体内体外，通过分子内或分子间的方式均能帮助NK分子的折叠与再折叠，作为一种分子内的分子伴侣，pro肽为NK分子正确折叠所必需。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。