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With and without the assistance of one water, ammonia, and methanol molecule, the proton-transfer tautomerisms of 2-hydroxylpyridine are investigated systematically employing the B3LYP/6-311++G** level of theory. Both the keto and hydroxyl form of 2-hydroxylpyridine can exist stably though the keto form is slightly more stable than that of hydroxyl form.

采用量子化学中的密度泛函理论,在B3LYP/6-311++G**计算水平上,系统考察了在水、氨和甲醇分子辅助下,2-羟基吡啶醇式和酮式结构的质子转移异构化行为。

In the second chapter, the mechanism of the gold-catalyzed cycloisomerization of bromoallenyl ketone was investigated and discussed.

在第二章中,通过理论计算对金催化的溴代连二烯酮环异构化反应的机理进行了研究和讨论。

It can be concluded that KOH can be served as dehydrating reagent in replacement of DBU.

研究了CLA以及各种异构体在空气中的氧化稳定性以及用不同抗氧化剂保护的效果。

Because the Grid is homog eneous,distributed and dynamic,traditional methods of resource management wil l not function well in Grid environment.

由于网格具有的异构性、分布性和动态性,传统的资源管理方法在网格环境中并不适用。

Since the days of Louis Pasteur, scientists have known that amino acids, the building blocks of proteins, come in two varieties.

自从Louis Pasteur的时代开始,科学家已经认识氨基酸,这些构成蛋白质的基本分子有两种异构体。

Methylnaphthalene ratio anti Methylnaphthalene index increase with the thermal maturity. The relative distribution of dibenzothiophene is well used for maturity assessment.

甲基萘指教和甲基菲指数随热演化程度的增加而逐渐增大;二苯并噻吩异构体的相对分布可用于成熟度评价;稠环芳烃中。

Alkylation of methylnaphthalene and methanol over HZSM-5 zeolite can make 2, 6-dimethylnaphthalene (2, 6-DMN) and the product stream contains isomers of 2, 6-DMN and unreacted MN, which requires efficient separation.

以甲基萘和甲醇为原料,采用HZSM-5烷基化催化剂制取2,6-二甲基萘(2,6-DMN)。由于产物中含有2,6-DMN的异构体以及未反应的MN,需对反应产物进行有效分离。

Under low temperature, n-butane isomerization on SO_4~2-/ZrO_2 and Cs_xH_(3-x)PW_(12)O_(40) catalyst proceeds through a monomolecular pathway in the initial stage of the reaction.

利用原位固体核磁共振技术可定量分析的优点,详细研究了上述三种酸催化剂上的正丁烷异构化反应动力学。

In every case Werner investigated, the number of isomers found was equal to that expected for an octahedral complex.

沃纳调查了每一种情形发现,可找到的异构体数与所期望的八面体络合物数相等。

In the reforming operation a light hydrocarbon feed isomerizes on contact with a suitable catalyst to produce gasoline with a higher octane number.

在重整操作中,一个轻质烃类进料与一个合适的催化剂接触而异构化得到具有高辛烷值的汽油。

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According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm~150rpm时取得最大值,此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世,形体几无变化。

When I was in school, the rabbi explained everythingin the Bible two different ways.

当我上学的时候,老师解释《圣经》用两种不同的方法。