构

In these solvents there is an equilibrium for 2-(2-mercaptophenyl)benzoxazole in the ground state between E1 and K, and the equilibrium shifts toward the tautomer K as the polarity of the solvent increases.

在溶液中，随着溶剂极性的增强，醇式异构体E1与K之间的反应平衡向K方向移动，在非极性溶剂环己烷中， E1为优势构型，而在强极性水溶液中， K为优势构型。

The present calculations predict that thioacetic acid mainly exists as a CH3CSH tautomer, and both tautomers predominately adopt syn conformations, which reproduces the experimental observations.

本文计算预测硫代乙酸主要以CH3CSH的形式存在，两种异构体均以顺式构象为优势构象。

The independence of the function is discussed focusing on the connection between man and language by analyzing the important concept of Chinese classical poetics Feelings-expressed-by-sound , which shows the opening and harmonious connection between the inner formalized feelings of man and the outer formalized sound of poetry or between man and language. As the formalized emotion, the feelings of the sound formed don't depend on social emotion.

生成的独立性：诗歌语音结构的生成具有"物之自则"即和谐自组织的的特性，也即不是在外力作用下而是按自身内在构型规律成型的；从人与语言的关系来看，古人用"体""用"并通过对体用一如的强调，来揭示人的内在性情与诗之"声"的高度交融关系，正是在"情之自溢"、"触物成声"的生成过程中，诗歌才做到体用一如——诗歌语音和谐构型的独立性离不开人的内在情文构型的独立性。

A computational result of RHF/LANL2DZ optimized structure and total energy shows that the isomers with C H…π structure have lower total energy, and that stability and isomeric preference of isomer are related to the C H…π interaction in the isomer.

用 RHF/LANL2DZ对该体系可能的异构体进行结构、能量优化，可能形成C—H…π相互作用的异构体具有较好的稳定性。C—H…π相互作用对含吡啶环的[CoN5Cl]^2+系配合物的异构体的选择性形成及其稳定性具有重要作用。

Taking Beijing rail transit line as an example, this paper analyses the influence of ground to type selection, and makes risk evaluation of various types of shield machine.

以北京铁路地下直径线为例，通过工程地质分析、地层对盾构的选型影响分析以及不同类型盾构的风险评估等方面进行盾构选型分析，可供类似工程作参考。

Second, using DBU as the base for enolization of propargylic esters of unsaturated acids 18e-k, we developed a tandem Ireland-Claisen rearrangement /isomerization reactions. It has been shown that the reaction sequence affords triene molecules 42a-b and 43a-b in moderated to high yields. Interestingly, with allyl hexa-3,5-dienoates 18i-j as the substrate, the rearranged products underwent further aromatization to give uniquely substituted benzyl acids 44a-b.

其次，以含有活泼质子的烯酸炔丙酯18e-k为底物，在DBU为烯醇化碱、TMSCl为硅试剂的条件下，底物18e-h发生了Ireland-Claisen重排/异构化串联反应，得到完全共轭的三烯类化合物42a-b及43a-b；而以己二烯酸炔丙基酯18i-j为底物时，重排/异构化后的产物进一步发生电环化等反应最终得到芳构化产物——取代苯甲酸类化合物44a-b。

The calculated results show that the X3+ cations each has two stable structures: the regular trigon(D3h) and the line with the regular trigon(D3h) being the ground state, while for three neutral X3Cl clusters, Sc3Cl has three stable isomers: the trigon-pyramidal(C3v), bidentate(C2v-1), and C2v-2 structures, Y3Cl and La3Cl each has only two stable isomers: the trigon-pyramidal(C3v) and bidentate(C2v-1) structures.

计算结果表明，三个X3+阳离子有两个稳定异构体：正三角型(D3h)和线型，其中正三角型为基态；对于三个中性的X3Cl团簇，Sc3Cl 有三个稳定的异构体：三角金字塔型(C3v)、双齿型(C2v-1)和 C2v-2型（图 1 e）；Y3Cl 和 La3Cl有2个稳定的异构体：三角金字塔型(C3v)和双齿型(C2v-1)。

With the purposes to shorten development period of shield control system and avoid the unsafety of imperfect-designed control system when connected directly to the shield and at the same time, for the convenience of optimal design and remote failure diagnosing of the system, it is very important to develop a test bench for the shield control system.

为缩短盾构控制系统的研发周期，避免在控制系统设计不完善时直接与盾构联机所带来的不安全性，同时也为了便于系统的优化设计和系统的远程故障诊断，有必要研制盾构控制系统检测式验台。

Via comprehensive computations, the possibilities of vinylidene and allene intermediates were excluded, and the reaction mechanism was found to contain the following three steps:(1) gold-catalyzed cyclization to give the cyclic intermediate,(2) the cyclic intermediate undergoing a 1,3-H migration to give a more stable intermediate, with the assistance of water-cluster,(3) finially, the 1,2-H or 1,2-silyl migration occuring for generation of the observed product.

通过对各种可能的反应路径的进行计算和比较，排除了亚甲基卡宾和连二烯中间体的可能性，并确定该异构化反应机理包含以下三个步骤：（1）炔丙基吡啶反应在金催化条件下发生分子内的成环得到环状中间体；（2）环状中间体在水分子簇的协助下优先发生1，3-氢迁移反应，异构化得到更为稳定的中间体；（3）最后再进行1，2-氢迁移或是1，2-硅烷基团迁移即得到实验中所观察到的环异构化产物。

Under the construction conditions of different shield driving forces and without in-phase grouting, mutual influences of construction of shield tunnels traversing adjacently under existing underground large-scale structures were studied with the numerical simulation and 3D model tests.

建立了盾构掘进三维有限元模型，针对不同的盾构推进力和同步注浆未及时起到支撑作用的施工工况，采用数值模拟和室内相似模型试验方法进行了盾构隧道近接下穿地下大型结构施工的影响研究。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。