构

The spin configurations of a two - sublattice system has been studied by mean field theory. It is found that at the absence of magnetic field, there exist two different linear and non-linear spin configurations.

用分子场理论研究双亚点阵系统的自旋织构，发现在零磁场条件下存在共线和非线两种不同的自旋织构的相图。

In Particular, the tangent stiffness matrix in the incremental relation becomes symmetric, ensuring the efficiency in the numerical analysis, whereas the integrated constitutive relation serves as a guide, ensuring the convergence on the physically feasible stress strain relation.

值得一提得是，增量本构方程中的切线劲度矩阵是对称的，使得在进行数值分析时十分有效。而全量本构方程作为确保实际可行的应力应变滞回圈收敛的向导。

Therefore, the linearized equation representing the dependence of Tg on the content of iso-, syndic- and heterotriads can only be used for the PMMA with the same type of stereodiads distribution.

本文研究了聚甲基丙烯酸甲酯的立构规整性与T8的关系，结果表明立构单元分布和含量均对T8有显著影响。

Architectural semiotics involves syntactics, semantics and pragmatics. Syntactics cares for architecture forms, and semantics emphasizes architectural aesthetics must born from abstract human culture, in the end, pragmatics pays attention to the semiotic affect on human deeds.

建筑符号学分为符构、符义、符用三个层面，符构学关注的是建筑的实际构成法；符义学强调建筑的美学要基于抽象的人类文化基础上；而符用学则是要关注人类行为学方面的符号作用。

Then, by using another tautomer (2H-indazole form), all of the above processes were repeated to investigate the effect of tautomerism upon the QSAR modelling.

对所有化合物采用另一异构形式重复上述过程，以探讨互变异构对QSAR建模的影响。

The DFT (B3LYP/6-31 + G) method was used to study the relative stabilities and probable proton transfer in isolated and monohydrated 2,4-dithiothymine molecules in gas phase. The effects of water on relative stabilities and the rate of the proton transfer were analysed. The results indicate that only one tautomer for 2,4-dithiothymine can exist in gas phase.

采用密度泛函方法在B3LYP/6-31+G水平上研究了2，4-二硫基胸腺嘧啶孤立分子和水合物的异构体的相对稳定性和可能的质子迁移反应，分析了水分子的参与对 2，4-二硫基胸腺嘧啶异构体的相对稳定性和质子迁移速率的影响。

As to thymine, the bond energy of the ion with the most stable tautomer of the free nucleic acid base is the weakest among the three tautomer＇ s complexes, and that of the ion with least stable tautomer of the free nucleic acid base is the strongest .

在互变异构体复合物中，键能是依赖于金属离子成键的位置，而总能量取决于全部的原子和它们之间的相对位置，这可能是造成几种互变异构体复合物键能和总能量变化趋势并不一致的原因。

Based on the fact that the stable tautomer of NTBC by calculation is different from that from X-ray experiment, the quantitative structure-activity relationship (Comparative Molecular Field Analysis, CoMFA and Comparative Molecular Similarity Index, CoMSIA) were studied on the five possible active tautomers in order to conjecture the structure of NTBC binding with HPPD.

基于理论计算得到的NTBC的稳定异构体结构与实验观测结构不一致的事实，利用比较分子力场和比较分子相似性指数的分析方法对NTBC可能存在的五种活性结构分别进行了三维构效分析，最终由CoMFA分析得到的最佳模型所对应的NTBC的活性结构与动力学实验推测的结合模式相吻合。

Secondly, comparative experiments were carried out in different phase regions to probe the influence of pressure and the phase behavior of the mixed solvents on the tautomerism.

将紫外光谱及热力学方法相结合，测定了CO〓+乙醇、CO〓+正戊烷混合流体中EAA的异构化平衡常数，研究了超临界区、临界区和亚临界区EAA的异构化平衡常数随压力等因素的变化规律。

The reaction mechanism of thione-thiol tautomerism for 2,6-dithiopurine obtained from proton transfer has been investigated by DFT B3LYP method with 6-311＋G basis set. The reaction enthalpies, activation energies, activation free energies and the rate constants of tautomerism were obtained.

采用密度泛函B3LYP方法，在6-311＋G基组水平上对2，6-二巯基嘌呤质子转移引起的硫醇式与硫酮式互变异构反应进行了计算研究，获得了互变异构过程的反应焓、活化能、活化吉布斯自由能和质子转移反应的速率常数等性质。

However, as the name（read－only memory）implies, CD disks cannot be written onorchanged in any way.

然而，正如其名字所指出的那样，CD盘不能写，也不能用任何方式改变其内容。

Galvanizes steel pallet is mainly export which suits standard packing of European Union, the North America. galvanizes steel pallet is suitable to heavy rack. Pallet surface can design plate type, corrugated and the gap form, satisfies the different requirements.

镀锌钢托盘多用于出口，替代木托盘，免薰蒸，符合欧盟、北美各国对出口货物包装材料的法令要求；喷涂钢托盘适用于重载上货架之用，托盘表面根据需要制作成平板状、波纹状及间隔形式，满足不同的使用要求。