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The reaction process in methanol solvent can be deduced from the computational results with CPCM solvent model and the supermolecular handling, namely the reaction involves four steps in the methanol solvent. The nucleophilic addition of trimethylamine to acraldehyde generates an enolate. Nucleophilic attack of the enolate on the aldehyde forms the carbon-carbon bond, followed by the proton-transfer process and the further elimination generating the product and liberating the trimethylamine catalyst.

对于CH3OH对反应体系的影响,可以综合考虑CPCM溶剂模型及超分子模型下的研究结果,即CH3OH溶剂中反应按四步进行,催化剂三甲胺首先与丙烯醛发生亲核加成,生成的两性离子中间体与甲醛发生类似于Aldol的醛醇缩合,形成碳-碳键,之后发生分子内质子转移,最后经E1cb消除得到产物,并释放催化剂三甲胺。

It was suggested that the solubility of cotton cellulose in Cl containing carboxyl decreased because of its intermolecular and intramolecular hydrogen bonds.

研究结果表明,含羧基的离子液体会由于分子间氢键的缔合作用降低其对纤维素的溶解性。

The combination energy includes hydrogen bond energy and electrostatic energy of ionic-pair,and contribution of the later is main.

分析晶胞发现每一个晶胞包含四个EM IM+/C l-离子对,测定咪唑环上C2和C l原子的距离为0.355 nm,认为C2-H…C l间形成了氢键。

As a result, electrostatic interactions and hydrogen bond were identified to contribute to the affinity interaction, while hydrophobic interaction contributed little. Moreover, the importance of electrostatic interactions and hydrogen bond to the affinity changed with pH value.The effect of rate of mobile phase on the retention of insulin was researched and the dynamic adsorption isotherm was got by analyzing the breakthrough data with Langmuir equation.

通过调节流动相的pH值和离子强度,并使用尿素和乙二醇分别对吸附蛋白进行洗脱,详细研究了吸附效果最好的目标蛋白质与肽配基之间的亲和吸附机理,发现静电作用和氢键是二者之间产生亲和吸附的主要作用力,而疏水相互作用对该亲和几乎没有贡献。

The energy of excitation is distributed in all the ions and transformed into vibrational energy in the various bounds.

激发能分布在全部离子上,并转变成各个键的振动能。

Whereas the calculation result of electric structure shows that the front valence electron of face (001) of gibbsite is active correspondingly. That is there may be some activity points on this face.

氢氧化铝的(001)面的前线价电子较为活跃,其晶面可能存在与铝酸钠溶液中不同形态的铝酸根离子或者是晶体生长基元发生键合的"活性点"。

From the analysis of FT-IR spectra, XRD patterns and SEM morphologies, the special functions of the chelating agents as follow: citric acid chelates metal ions, EDTA adjusts pH values and ethylene glycol polymerizes complex and replaces hydrogen bonds in SBT sol solution.

利用红外光谱、X衍射及扫描电镜等手段,证明柠檬酸主要起络合金属离子作用;EDTA除辅助交联金属离子外,主要用于调节pH值;而乙二醇用来聚合柠檬酸和EDTA,防止氢键产生,起稳定溶胶作用。

The effects of amorphization and bond breaking increased with increase of ion fluence and electronic energy loss.

非晶化效应和化学键断裂同时依赖于离子的照射剂量和离子在样品表面的电子能量损失,剂量越高,表面电子能量损失越大,效应就明显。

The results showed that hybrid glass ionomers bond much more strongly to enamel than do the conventional glass ionomers.

结果显示,复合玻璃离子体比传统玻璃离子体在珐瑯质上有更强的键结强度。

The calculations on the binding energy and the population analysis of the ribose-Ln complexes were made by using the coordinates obtained from its single-crystal structures. Theoretical interpretions on the coordination between ribose and rare-earth metal ions were given by the results of the calaulation.

利用本论文得到的一系列的核糖—稀土配合物的单晶结构数据,对各配合物分子的结合能、配合物中各原子的净电荷布居以及稀土金属离子中各原子轨道在成键中的作用等方面内容进行了量子化学计算,并为核糖与稀土金属离子的配位作用提供了理论解释。

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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。

The new PS20 solar power tower collected sunlight through mirrors known as "heliostats" to produce steam that is converted into electricity by a turbine in Sanlucar la Mayor, Spain, Wednesday.

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