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芳香性

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Flavor substances of pumpkin were qualitatively analyzed and 22 kinds of chemical components were identified by GC-MS. The main compounds extracted are Bornyl acetate, Camphol and 4-methy- Phenol, respectively.

首次对南瓜(6号京银栗)进行了芳香物质的定性测定,发现南瓜中含有22种芳香性成分,主要为醋酸冰片酯、樟脑、四甲基苯酚、4,6,6-三甲基-双环[3.1.1]-3-庚烯-2-酮。

Aromatic Chinese medicine herb had the effects of outthrust evils from the exterior, transforming dampness, repelling foulness, rectifying qi, opening the orifices, circulation and pain-relieving.

芳香性中药辛香走窜具有透邪解表、化湿辟秽、理气开窍、活血止痛等功效;精油因为分子小渗透力高,能有效地进出身体,正符合传统中医理论认为芳香类药物辛香走窜之特性。

The calculated results show: the ground state structures of PtNi5, Pt2Ni4 and Pt3Ni3 clusters are quadrangular bi-pyramid, and Pt4Ni2 and Pt5Ni clusters are triangular bi-pyramid with hat and triangular pyramid with quadrilateral, respectively. From the point of view of thermodynamics, PtnNim clusters are stable because of the negative enthalpy of formation; the positive NICS of PtNi5 clusters show anti-aromaticity, The negative NICS of Pt2Ni4 and Pt5Ni clusters show aromaticity. The number of the IR absorption peak of Pt3Ni3 is the most. The IR and raman absorption peak of PtNi5 , IR of Pt2Ni4, Raman of Pt3Ni3 and Pt4Ni2 have only one. The absorption peak of Pt5Ni appears in the bigger frequencies only, and is zero almost in the small frequencies.

研究结果表明:PtNi5、、Pt2Ni4、Pt3Ni3团簇的基态结构都为四角双锥结构,Pt4Ni2 和Pt5Ni团簇的基态结构分别是戴帽三角双锥和三角锥戴四边形结构;PtnNim团簇的生成焓都为负值,表明团簇在热力学上是稳定的;由NICS值可得,PtNi5团簇具有反芳香性,Pt2Ni4和Pt5Ni团簇具有芳香性;从光谱分析来看,Pt3Ni3团簇的IR较强吸收峰的个数最多,PtNi5团簇的IR和Raman、Pt2Ni4团簇的IR、Pt3Ni3和Pt4Ni2团簇的Raman只有一个强吸收峰值,Pt5Ni团簇的峰值只出现在频率较大的位置,频率小的位置几乎为零。

It is ofreactions of aromatic rings such as acylation, alkylation, etc..

具有芳香性,在环上能进行酰化反应,烷基化反应等芳香环所具有的反应特性。

In this paper the aromaticity index-Nucleus-Independent Chemical Shifts of nitroaniline and nitrobenzene explosives are calculated by density functional theory, and the relationship between impact sensitivity and aromaticity is investigated.

运用密度泛函方法研究了硝基苯和硝基苯胺类炸药芳香性,首次计算了核独立化学位移(Nucleus-Independent Chemical Shifts, NICS),对其芳香性与撞击感度进行了关联。

State Huckel's rule for deternining whether a molecule is aromatic or antiaromatic or nonaromatic and List aromatic,antiaromatic,and nonaromatic compounds.

答: 根据休克尔规则判断下列化合物是否具有芳香性。并列出下列化合物哪些是芳香性物质,非芳香性物质,反芳香性物质

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

苯 ——典型的芳香体系&芳香性&是什么?

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 calculated NICS values show that nucleus-independent chemical shifts values of roof-shaped isomers for Sb42-, Bi42-, and22- species are all negative, consequently indicating that these roof-shaped isomers possess aromaticities. NICS values for the planar ring isomers are all positive, suggesting that these three planar ring isomers have antiaromatic characters.

计算显示Sb42-、Bi42-和22-团簇的所有屋顶型结构的核独立化学位移全部为负值,从而说明这些屋顶型结构拥有芳香性;平面环结构的核独立化学位移值全部为正值,说明这三种平面环结构具有反芳香性

By defining several localindices which can be easily calculated from these ground-state wavefunctions, we first succeeded in explaining bond lengths, orientation ofelectrophilic aromatic substitution, and local aromaticity of these benzenoidhydrocarbons within the VB theory. Moreover, the energy splittings betweenthe ground state and first excited state are applied to correlate with theiroverall aromatic characters, the results are also in good agreement withrelated predictions from MO theory.

通过定义一些可由基态波函数直接计算的局域指标,首次在VB模型下成功地解释了苯型烃的键长、亲电取代反应的方向及局域芳香性,并用基态与第一激发态的能量差讨论了这些分子的整体芳香性,得到了与分子轨道理论的预测基本平行的结果。

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