查询词典 aromaticity

The temperature effect on the oil yield was discussed at first. Then, analytical work was carried out as follows: the ultimate analysis and physi-chemical analysis of the pyrolytic oil comprised a sketch of the fuel properties of the oil; Then, through the distillation analysis of the oil, the fraction composition of the "unrefined"oil was known. After that, a general knowledge of the aromaticity and saturation of the hydrocarbons in the oil was provided by the outcome of the FT-IR functional group analysis. Also, from the analysis, the form of the polar functional groups and their distribution in different fractions of the oil were learned.

文中首先对不同热解温度下热解油产率进行分析讨论，然后，针对热解油品质进行了一系列分析：通过元素组成和理化特性的分析，对热解油作为燃料特性有了一个大致了解；通过实沸点蒸馏分析，得到热解油作为一种未提炼油的馏分分布，并为后续热解油馏分的细入分析提供了前提；通过对热解全油和各窄馏分的FT-IR官能团分析，对热解油的芳香性、不饱和性有了整体的了解，并且清楚了热解油中的极性官能团存在型式及其在热解油不同馏分中的分布。

From the UV spectra, it can be found that the aromaticity of acenaphthenyl groups in C_2 gum is the largest. But there are 30 carbon atoms in the conjugated structure of condensed aromatics in C_1 gum and C_3 gum, while 28 carbon atoms in acenaphthenyl groups in C_2 gum.

但是，在C_1胶、C_2胶和C_3胶三者中，C_1胶侧链上的四苯基苯基和C_3胶侧链上的菲式多苯基苯基都含有30个碳原子，而C_2胶侧链上的苊式多苯基苯基含有28个碳原子，比前面二者小2个碳原子，理应其芳香性在三者之中最小，但事实却恰恰相反。

So, the aromaticity of acenaphthenyl groups in C_2 gum should be the least. In order to explain the reason, quantum chemical calculation is utilized. The optimized geometrical structrures of condensed aromatics in C_1 gum, C_2 gum and C_3 gum are calculated at B3LYP/6-31G* levels. We find that some phenyl groups in acenaphthenyl groups are coplanar and have the largest conjugated structure.

为了解释其原因，我们利用量子力学方法进行了计算，研究了三种稠环基团在B3LYP／6-31G*基组水平下优化得到的几何结构，发现苊式多苯基苯基中的萘环和中间的苯环共面，电子离域性最大，而其他二者所有苯环都不共面，发生了明显地扭曲；同时，在优化几何结构的基础上，对三种化合物进行了前线分子轨道的分析，利用密度泛函理论方法(density function theory，DFT)计算了稠环基团的最高占有轨道和最低未占轨道之间的能量差，即能隙，发现C_2胶上苊式多苯基苯基的Eg最小，解释了C_2胶具有最好的辐射保护效果的原因。

Benzene -- the Prototypic Aromatic System. What is "Aromaticity"?

苯 ——典型的芳香体系&芳香性&是什么？

Results show that there is some aromaticity in the ring of pyrazole compounds, also there is some linear relationship between total energy, density and the number of amine groups respectively. Calculated detonation velocities of these compounds are more than 8.0 kms^(-1), which indicate that these compounds are very good potential energetic materials.

结果表明：吡唑环上有一定的芳香性特征；理论计算得到部分化合物的总能量和密度与NH2原子个数都有较好的线性关系；大多数化合物的爆速在8.0 kms^(-1)以上。

Specific subjects Ab initio and Density functional theory calculations of electric polarizability and hyperpolarizability, intermolecular forces, aromaticity, molecular design, electric properties of solvated molecules, NLO materials, Raman intensisties, polarizability of metal and semiconductor clusters, relativistic effects on electric properties, and more.

具体科目和从头计算密度电极化和超极化率，分子间作用力，芳香性，分子设计，溶剂化分子，非线性光学材料，拉曼intensisties，金属和半导体产业集群，对电性能的相对论效应极化电性质的密度泛函理论计算，更。

The aromaticity for the two stable roof-shaped and square isomers are preliminarily explained and discussed with MO analysis.

用分子轨道分析对这两类屋顶型和平面环结构的芳香性和反芳香性作了解释和讨论。

The topological resonance energy method was applied to all the open structure isomers of C36X to investigate their aromaticity.

采用拓扑共振能方法对富勒烯C36X开环结构中的所有可能的异构体及阳离子和阴离子芳香性进行了理论研究。

This study also suggests that NICS scan might be a good approach to judge aromaticity.

研究结果同时还表明，NICS是评价芳香性的良好方法。

What is "Aromaticity"?

什么是&芳香性&？

If you are unfortunate enough to the lovelorn, please tell me, I will help you out, really, please contact me!

如果你不幸失恋了，请告诉我，我会帮助你摆脱困境，真的，请联系我啦！

China's plan to cut energy intensity by 20 percent and pollutant discharges by 10 percent between 2006 and 2010 is a case in point.

中国计划在2006年到2010间降低20%的能源强度和减少10%的主要污染物排放，就是一个这样的例子。