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The results show that this reaction proceeds in two step: 1 silylene and formaldehyde form an intermediate complex, which is a kind of exothermal reaction with no barrier; 2 the intermediate complex isomerizes to sive the product. The barrier for the second step is 51.4kJ·mol^-^1 at MP2/6-31G^*//6-31G^* level (with zero-point energies correction). In view of dynamics and thermodynamics, it is between 300~400K that the reaction will have not only larger spontaneous tendency and equilibrium constant but also quicker reaction rate.

结果表明,此反应历程由两步组成:1硅烯与甲醛生成一中间配合物,是一无势垒的放热反应,2中间配合物异构化为产物,此步势垒经零点能校正后只有51.4kJ·mol^-^1(MP2/6-31G^*//6-31G^*);从热力学和动力学的综合角度考虑,该反应在300~400K温度下进行为宜,如此,反应既有较大的自发趋势和平衡常数,又具有较快的反应速率。

Our observations suggest that, in addition to motility, the protein phosphatase PP1 gamma 2 might play an isoform-specific function in the development of specialized flagellar structures of mammalian spermatozoa.

我们的观察表明运动性蛋白磷酸酶PP1γ2可能在哺乳动物精子的鞭毛的特异结构的发育过程中具有异构体特异的功能。

This framework is based on SystemC language, which supports the co-scheduling of heteromerous systems and the simulation of multi-scheduling strategies. Under this framework, the system's function and timing constraints can be verified and the selection of system architectures and scheduling strategies can be evaluated.

提出了基于SystemC平台的调度仿真框架FSSF(Flexible Scheduling SimulationFramework),使其具备支持异构系统的协同调度、多调度策略的仿真和扩展特性,从而能有效验证系统的功能和约束条件,并为系统性能的评估提供了保障。

The grid establish on public Internet which is much open and heteromerous. Except for considering security problem of traditional Internet, lots of new features bringing security problems in the grid computation environment has to be considered, such as users and resources could change dynamicly, process is asked to start when computing, applicate or release resources.

网格建立在开放性、异构性极大的公共网络Internet中,除了考虑传统网络的安全问题之外,还必须考虑网格计算环境中的诸多新特点所带来的安全问题,如:用户、资源动态可变,计算过程可中动态请求启动进程、申请或释放资源等等。

The grid connecting with high speed internet form a virtual environment , realize resources share and co-work on virtual environment with high propertie.the grid establish on public internet which is much open and heteromerous.

网格建立在开放性、异构性极大的公共网络internet中,除了考虑传统网络的安全问题之外,还必须考虑网格计算环境中的诸多新特点所带来的安全问题,如:用户、资源动态可变,计算过程可中动态请求启动进程、申请或释放资源等等。

In the forth part, the heterotactic enthalpic pairwise interaction coefficients between amino acids and butanediol isomers (1,3-butanediol, 1,4-butanediol and 2,3-butanediol) at 298.15K and 310.15K are discussed.

第五部分:采用密度泛函理论等方法研究了甘氨酸分子分别与丁二醇的三种异构体分子以1:1的比例形成的氢键络合物,从B3LYP6-31G到6-31 G基组水平进行了优化,利用结合能数据讨论了焓对作用系数的差别。

Recently, with the increasing complexity of applications based on network, many complex systems have appeared to be typically autonomous, open, dynamic, and heterotopous. These systems make current software theories and technologies confront with many challenges, one of which is that mechanisms need to be provided with these complex systems from the point view of software architecture.

近年来,越来越多的以计算机网络为平台的应用系统表现出自主性、动态性、开放性和异构性的特点,这使得软件开发理论和技术需要从软件体系结构的角度对这类系统的开发提供支持。

The results indicate that little conversion of iodobenzene was observed on unmodified carrier supported catalysts; and a conversion of 100% and a selectivity of above 98% to trans-isomers were found over 10%Cu/5%KF/ZnO, 20%Cu/10%KF/ZnO.

结果表明,对碘苯与丙烯酸正丁酯的Heck反应的催化性能,未改性催化剂基本没有活性,而改性后,10%Cu/5%KF/ZnO、20%Cu/10%KF/ZnO催化剂的催化转化率为100%和反式异构体的选择性为98%以上。

Through the use of high-level quantum-chemical calculations, two experimentally observed isoenergetic isomers are assigned to complexes in which a water dimer is hydrogen-bonded either to the carbonyl oxygen of the ester function or to the amino nitrogen.

通过高层次的量子化学计算上的应用,两个实验观察isoenergetic异构体被分配到复合物,其中一个水二聚体的氢键要么酯的羰基氧的功能或对氨基氮。

In summary, main work and original achievements in this paper are as follow: First, isomeric knowledge solution in engineering design is resolved by integrating intelligent idea based on researching the development and application of artificial intelligence.

归纳起来,本文的主要工作和创新性成果如下:首先在研究人工智能发展和应用的基础上,综合集成智能的思想解决了工程设计中存在的异构知识求解。

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This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

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