电子异构

The properties of single-chain and pauci-chain polystyrene microspheres and recent results on the electron microscopy and selected area electron diffraction of single-chain monocrystals of polyethylene oxide, isotactic polystyrene, cis-1, 4-polybutadiene and guttapercha are presented and discussed.

介绍和讨论了单链和寡链聚苯乙烯玻璃体微球的性质以及聚环氧乙烷、全同立构聚苯乙烯、顺-1， 4-聚丁二稀、反-1， 4-聚异戊二烯单链单晶电子显微镜和选区电子衍射观察的最新结果。

The equilibrious geometries and electronic structures of possible isomers of Si4N4 clusters are studied by using density functional theorywith basis sets 6-31G*.17 possible isomers are obtained.

用密度泛函理论中的杂化密度泛函B3LYP方法，在6-31G的水平上对Si4N4团簇的可能结构进行了几何结构优化和电子结构计算，得到了可能的17个异构体。

For such complex and composite systems as analogue and digital systems, electronic and mechanical systems, the Ptolemy II attain purposes with heterogeneously hierarchical ideology, in other words, actors and model of computation at the same level stand for a behavior of the system, and these components at this level can be converted into a composite actor that stands for another behavior of the system under the control of different models of computation at upper level with other actors. In this way, the system may be structured hierarchically.

对于复杂的混合系统，如模拟与数字系统，电子与机械系统，Ptolemy II采用层次异构的思想实现，即同层的角色和计算模型表示系统的一种行为，而这一层组件又可转变为一个复合角色，在上一层与其它角色在不同的计算模型控制下表示系统的另一种行为，从而实现系统的层次构架。

In this thesis, two classes nonquaternary Cholinesterase Reactivators (1,2,4-oxadiazole and a -ketothio Hydroximic Acids derivatives ) and some clinical therapy used reactivators added to almost 40 cases have been caculated by using Comparative Molecular Field Analysis,ab initio and molecular mechanism methods. The characteristics of the molecular orbitals and the quantitative structure-activity relationship have been investigated.

本文利用比较分子力场法，量子化学从头算法，分子力学及计算化学回归分析等方法，对1，2，4-oxadiazole类非季铵肟胆碱酯酶复能剂，α—酮硫代异羟肟酸酯复能剂及部分现临床使用的复能剂，近40个化合物进行了计算，分析和研究了其电子结构和几何结构特征，建立了定量构效关系方程，得到了以下一些有意义的结果。

All of the possible 21 isomers for C_77N~+, an isoelectronic molecule of C_78, were investigated by the INDO methods based on C_78(C_2V).

用INDO系列方法对C78(C2V)的等电子体C77N+的所有21种可能异构体进行系统的理论研究。

The electron impact mass spectra of noncyclic crown ether s with heterocyclic methmazole as terminal groups 1a￣4a and fo were given and discussed in the present article.

本文给出以杂环甲巯咪唑为端基的非环冠醚1a～4a及1a的异构体1b的电子轰击质谱并讨论之。

The properties of single chain and pauci chain polystyrene microspheres and recent results on the electron microscopy and selected area electron diffraction of single chain monocrystals of polyethylene oxide, isotactic polystyrene, cis1,4 polybutadiene and gutta percha are presented and discussed.

介绍和讨论了单链和寡链聚苯乙烯玻璃体微球的性质以及聚环氧乙烷、同立构聚苯乙烯、－，4－丁二稀、－，4－异戊二烯单链单晶电子显微镜和选区电子衍射观察的最新结果。

The correlation of such ultrafast process with the system temperature and property of solvents is analyzed, which is useful for the further study about the ultrafast process of DNA, protein and other biological molecules, such as intra- and intermolecular electron, proton and energy transfer and photoisomerization.

本文的主要内容是利用飞秒时间分辨荧光亏蚀光谱探测技术对液相体系中的染料大分子在不同条件下的激发态振动弛豫、取向弛豫和分子间碰撞传能等超快动力学过程进行了研究，分析得到了这些超快过程与体系温度和溶剂性质之间的关系，同时为进一步研究DNA、蛋白质等生物分子体系的电子转移、质子转移、能量传递以及光致异构化等反应过程打下了基础。

Femtosecond time-resolved studies using fluorescence depletion spectroscopy were performed on the vibrational relaxation; orientational relaxation and the intermolecular energy transfer of dye molecules in solutions under different conditions. The correlation of such ultrafast process with the system temperature and property of solvents is analyzed, which is useful for the further study about the ultrafast process of DNA, protein and other biological molecules, such as intra- and intermolecular electron, proton and energy transfer and photoisomerization.

本文的主要内容是利用飞秒时间分辨荧光亏蚀光谱探测技术对液相体系中的染料大分子在不同条件下的激发态振动弛豫、取向弛豫和分子间碰撞传能等超快动力学过程进行了研究，分析得到了这些超快过程与体系温度和溶剂性质之间的关系，同时为进一步研究DNA、蛋白质等生物分子体系的电子转移、质子转移、能量传递以及光致异构化等反应过程打下了基础。

The free energy of solvation is well correlated with the dipole moments of 5-fluorouracil and 5-chlorouracil tautomers.

另外， 详细地将5-氟尿嘧啶和5-氯尿嘧啶与尿嘧啶进行了对比，获得三者最稳定异构体间电子结构异同的有用信息。

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。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。