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The hydrogen bonding of 1:1 complexes formed between acetamide and three kinds of isomers of picolines have been completely investigated using B3LYP method at various basis set levels from 6-31G to 6-31+G and 6-31++G. The results show that the interaction energies of hydrogen bond complexes between acetamide and picoline isomers have great effects on the values of h_.

2采用密度泛函理论等方法研究了乙酰胺分子分别与甲基吡啶三种异构体分子以1:1的比例形成的氢键络合物,从B3LYP/6-31G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异。

The method is thus a good one for obtaining individual unsaturated fatty acids in pure state.

及防止不饱和脂肪酸在分离过程中发生氧化和异构化的特点,是一种较理想的制备高纯度不饱和脂肪酸的方法。

These results show that PIP has only one thermodynamically stable disulfide linkage, and the non-natural disulfide isomers could refold in vitro efficiently to from native PIP.

观察到PIP只有一种热力学稳定的二硫键配对方式,PIP的非天然二硫键异构体在巯基试剂存在的条件下可以高效转化为天然二硫键配对。

Furthermore, the value of E〓 was found to be strongly dependence on the orientation of the cluster relative to the surface.

我们的研究表明,虽然三种异构体的结合能相近,但是它们在表面化学吸附的阈能有很大差别。

Semantic Grid is able basically to solve the problems, such as different information format in Grid, multiformity of information semanteme , pinch of information relation and non-unionize. It has higher practicability.

语义网格基本上能解决网格上存在的信息格式异构、信息语义的多重性以及信息关系匮乏和非统一等问题,具有高度的简单实用性。

The properties of all phase composition s, types of main crystalline phase, sizes of grains and their distribution, properties of daily steatite ceramics were described in this paper.

叙述了日用滑石瓷结构中的各种物相比例,主晶相类型、粒径大小及其分布状态、性质,介绍了其具有晶体小、结构细微、光学性质相似,具有同质异构体的独特显微结构,探讨了显微结构与生产工艺、各项性能的相互依赖关系。

Uses: Lutein, and its naturally occurring stereoisomer zeaxanthin, is used as part of a general carotenoid defense against oxidative stress, whether solar or metabolic.

用途: 叶黄素和其立体异构体玉米黄质,作为常规类胡萝卜素的一部分,用于防止来自日光的或者来自新陈代谢的氧化压力。

The effect leading to mutation occurs during DNA replication when a rare tautomer in the template strand matches with a noncomplementary base.

当模板链中的稀有同分异构体与非互补的碱基配对时,则在DNA复制过程中就会产生导致突变的影响。

By comparing the ready experimental results with the calculated results obtained at 7 basis sets and 3 theoretical levels, respectively, for the tautomeric form Cytl of cytosine, the relatively accurate B3 LYP/6-311+G(superscript **) theoretical method to study the tautomerism of cytosine was chosen.

分别采用7种基组、3种理论方法对胞嘧啶异构体Cytl的结构进行优化,通过与Cytl的实验结果进行比较,选取了适合研究胞嘧啶分子的B3LYP/6-311+11G方法。

This process utilizing modern efficient wire gauze wave-like packings sepa-rates three isomers of MNT(ortho-.meta- or para-), then the O-MNT or P-MNTis nitrated to produce military TNT by a mixture of nitric and sulfuric acid.

本工艺利用近代高效的金属丝网波纹填料分离MNT的三种异构体,然后用硝硫混酸把邻一或对一MNT硝化成军品TNT,这样可避免亚硫酸钠溶液精制TNT的工序。

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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。

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。

There is no differences of cell proliferation vitality between labeled and unlabeled NSCs.

双标记神经干细胞的增殖、分化活力与未标记神经干细胞相比无改变。