反应的

The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通过研究，获得了三种情况下两种反应通道(分别对应于顺式-和反式-丙烯醛)中涉及的反应物、产物、中间体、过渡态的优化结构及其能量，并由此得到了反应的势能面图，在电子微观层次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程。

Therefore, quantum chemistry associated with surface analytical techniques is used to investigate the key surface reactions involved in the growth and functionalization of group-IV semiconductor surfaces.

我们的计算从理论上预测了有机小分子催化反应的机理和可能的反应路线，对于丙烯醇在Si(100)-2×1上表面上的计算表明O—H解离反应是表面选择性的反应通道。

Transesterification between dimethyl sebacate and 1,2,2,6,6-pentamethyl-4-piperidinol was studied with tetraisopropyl orthotitanate ,lithium amide and di-n-octyltin oxide used separately as catalysts.

对癸二酸二甲酯与1，2，2，6，6-五甲基哌啶醇的酯交换反应进行了研究；分别考察了四异丙基钛酸酯、氨基锂、氧化二辛基锡3种催化剂的性能；采用氢核磁共振确定了产物的结构；考察了以四异丙基钛酸酯为催化剂时反应温度、反应时间、原料配比和催化剂用量对反应的影响。

The yield of conversion and reaction rate were investigated under different reaction temperature, reactant ratio and catalyst amount through conditional experiment, and best conditions were confirmed, which was 75℃, the ratio of 1:4 for binary acid to ethanol and the amount of silicotungstic acid was 2% of mixing binary acid quality.

通过条件试验，分别考察了在不同的温度、投料比、催化剂用量情况下酯化反应的转化率和反应速率，最终确定了该反应的最佳反应条件：温度75℃，酸醇比为1：4，催化剂用量为混合二元酸质量的2%。

Triphenylmethyl chloride can react selectively with the 30-hydroxil group of glycyrrhetol under the catalyzing effects of three ethyl amine and dimethyl amino-pyridine.This condition of the reaction has an important value for the selective protection of 30-hydroxil group of glycyrrhetol.

三苯氯甲烷在三乙胺和二甲氨基吡啶等碱性催化下与甘草萜醇的C30-位羟基进行选择性缩合反应，此反应产率较与C3-位羟基化反应的要高，此种反应条件在甘草萜醇C30-位羟基的选择性保护中具有重要的价值。

Hydrogen peroxide(H_2O_2)was used as oxidant,oxalic acid as complexing agent and tungstic acid (H_2WO_4)as catalyst.

研究了以环戊烯为原料、草酸为有机络合剂、H2O2为氧化剂，在催化剂钨酸(H2WO4)的作用下一步合成戊二酸的绿色新过程，考察了氧化剂的含量、反应物配比、催化剂用量、反应温度、反应时间等对反应的影响。

To optimize the reaction condition for the purpose of target compounds synthesis, the advance of 1,3-dipolar cycloaddition and click chemistry is reviewed. The conditions of the reaction between azides or nitrile oxides and terminal alkynes were optimized experimentally and the best operation condition was established.

论文综述了偶极环加成反应和点击化学的进展，特别对Cu催化的腈氧化物或叠氮化物与端炔化合物之间的1，3-偶极环加成反应进行了理论分析与实验研究对反应条件进行了优化，确立了实验室中进行反应的最佳操作条件。

One was that one molecule of nitrous acid di-rectly reacted with DMA,and the other was that two molecules of nitrous acid reacted first to yield nitrogen trioxide,which then reacted with DMA.

计算结果表明，DMA与亚硝酸间接反应的活化能比直接反应的低约55kJ/mol，由此可推断DMA与亚硝酸生成NDMA的反应是以两分子的亚硝酸先生成ONNO2再亚硝化DMA为主要反应途径。

To study the influences of methane on selective non-catalytic reduction, the condition of flue gas composition was simulated on a drop tube furnace test rig, and the influences of a few of methane on SNCR temperature window, NOx reduction efficiency and ammonia slip from 650℃ to 1 150 ℃ were investigated, as well as reactivity of methane.

为研究甲烷对选择性非催化还原脱硝反应的影响作用，在沉降炉实验台上模拟锅炉烟道内的反应环境和烟气成分，在650~1150 ℃范围内，研究了微量甲烷对SNCR反应温度窗口、脱硝效率和氨泄漏的影响，以及甲烷在脱硝过程中的反应特性。

The reaction kinetics was studied by selecting control-step method as well as modified Debye-Hückel activity coefficient model and Bromley osmotic coefficient model. The results show that the reaction order is 2 and apparent reaction activation energy 85.8 kJ/mol, and the reaction is mainly controlled by precipitation of KB5O8?4H2O.

采用选取控制步骤法并引入修正的Debye-Hückel活度系数模型和Bromley渗透系数模型研究了该反应的动力学的影响规律，得出反应级数为2，表观反应活化能为85.8 kJ/mol，反应主要受四水五硼酸钾晶体析出的控制。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失