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B3LYP/aug-cc-pvDZ level of theory is applied to study the geometric structures, hyperconjugation and exchange repulsion of 13 isoelectronic equivalents of benzene obtained by successive replacement of CH groups by nitrogen atoms in benzene.

采用密度泛函理论的B3LYP方法在aug-cc-pvDZ基组上研究了13种苯及其含氮等电子体化合物的分子结构、能量和异构体相对稳定性,重点考察了含氮量对化合物含能性质的影响。

The fracture features and interfacial microstructures of explosively welded Pt/Ti and postrolling progress have been studied by TEM, SEM, XRD and EDXA. The explosive welding interfacepossess some inconsecutive new phases. The phases are PtTi, PtTi3,Pt5Ti3 and so on, which havehigh strength. Tensial fracture position is located at the hoe of Pt.

用扫描电镜、能谱、X射线衍射仪对Pt/Ti爆炸焊接及爆后轧制双金属断面形态与界面结构进行的分析表明:爆炸焊接界面上有断续的新生化合物层,此层是由PtTi、PtTi3、Pt5Ti3等化合物组成的混合组织,有很高的结合强度,强制拉断在界面Pt侧。

No indene was found, clearly showing that indanes and indenes may originate from different precursors, and algae lived in saltwater are important contributors to the indanes.

没检测到茚类化合物,说明二氢化茚和茚可以源自不同的先质,生活于咸水环境的低等生物是二氢化茚类化合物的母质之一。

Oral doses of 150-200 mg of plant indican were given to human subjects, including normal man and hepatitis patients, as well as dogs and rabbits.

此外在所有尿液中省检出不同的极性大的未知吲酚类化合物。在人尿中检出二个未知吲酚类化合物A和B。

The pigment in colored cotton fibers was extracted by methanol at room temperature. The results of color reactions HCl-Mg reaction, NaBH4 reaction, NaOH reaction, FeCl3 reaction and Pb(Ac2 reaction of the pigment extractive showed that the pigment extracted by methanol was flavone or flavonol with two adjacent hydroxide groups (Table 2, Fig. 1). The results of UV spectral analysis further proved that the pigment extracted by methanol from brown fiber belonged to flavone with two adjacent hydroxide groups in B ring, and that from the green fiber contained not only flavone but also flavonols with two adjacent hydroxide groups both in A ring and B ring and indican replaced a hydroxide group at 3-site of A ring Fig.

通过盐酸-镁粉反应、四氢硼钠还原反应、碱反应、醋酸铅反应、氯化铁反应和紫外光谱吸收的分析表明,甲醇室温提取的棕色棉纤维色素可能是黄酮类化合物,B环上带有邻二酚羟基;甲醇室温提取的绿色棉纤维色素除黄酮类化合物外,还含有3-位羟基被糖甙化的黄酮醇类化合物,A、B环上都带有邻二酚羟基。

In this study, we have fabricated phosphors containing indium and investigated the possibility of these phosphors using for FED.

这个研究的目的,是要开发含铟化合物或锗化合物的萤光粉,并研究其使用於场发射显示器的可性。

The ECL intensity and mechanism depends on the type of substituent in indole ring.

吲哚环上含羟基的化合物与含甲氧基的化合物的反应历程不同,引起发光效率差异。

With this new type of capillary columns, significantly better mechanical stability, thermal stability, reproducibility, strong separation power and good inertness are obtained in combination with short analysis time.

与一般的商品化PLOT-U色谱柱相比,热稳定性和机械强度有明显的改善和提高,对强极性物质、强活性化合物、永久性气体以及低碳化合物有较好的分离。

Inorganic substances, including all chemical elements and their compounds, but the exception of most of the carbon compounds.

无机物质包括所有化学元素和它们的化合物,不过大部分的碳化合物除外。

It is proved that the third state-transition state existed during the process of the configuration interconversion between the imino form and amino form , the energy is 43-60kcal/mol.

生测结果表明,所合成的化合物具有一定的昆虫飞行抑制能力和较好的杀菌活性,部分含氟的苯甲酰硫脲化合物具有速杀的杀虫活性。

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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。