查询词典 polarizability

The relation of the chromatographic retention indices of alkene to topological index,double bond atomic hybridization state index,polarizability effect index of branched chain to double bond atomic,immobile liquid polarity values and column temperatureat different temperatures on different stationary phases was studied.

通过对部分烯烃在不同固定相不同柱温下的1031个样本集的气相色谱保留指数值与其部分参数关系的研究，发现RI与拓扑指数、双键原子杂化状态指数、支链对双键的极化效应指数、固定液极性值及柱温的关系可表示为：^RI=-58.138+57.7460Q-8.2591Q+0.120T+0.807CP+36.460PBD+7.919DHSI(R=0.9989)继以留一法(Leave-one-out，LOO)进行交互检验，相关系数RCV=0.9977，说明所建模型具有良好的稳定性和预测能力，较好地揭示了烯烃类化合物气相色谱保留指数RI随固定相极性、柱温的改变而变化的规律

With quantum chemical calculation, all the information about electronic and spatial structures of specific compounds can be obtained, including molecular orbital energy level, atomic charge density, polarizability, and electrostatic charge of molecules.

通过对化合物进行量子化学计算，可以获得有关分子的电子结构和立体结构信息，如分子轨道能级、原子的电荷密度、极化率以及分子的静电荷等。

A good agreement can be observed between the electronic polarizability aO2 and optical basicity L values obtained with different initial quantities.

一个好的协议可以待观察之间的电子极化和ao2 光学碱度升的价值观，得到了不同的初始数量。

Since optical nonlinearity is caused by electronic polarizability of materials on exposure to intense light beams, electronic polarizability is one of the most important properties that govern the nonlinear response of the materials.

由于非线性光学性质，是造成电子极化材料，暴露于激烈的光束，电子极化是其中最重要的物业管非线性响应的材料。

This is due to the highly polarizable oxide ions in the heavy metal glasses and the high polarizability of their cations, and this leads to a high polarizability of the whole molecule and easy distortions of the electron density in a strong electromagnetic field.

这是由于高度极化氧化物离子在重金属眼镜和高极化其阳离子，这导致高极化整个分子和容易扭曲的电子密度，在强电磁领域。

Kinds of Schiff base derivatives of 2-N-benzylidene Furanmethanamine have been designed. The Net Charges of main atoms, bond lengths, bond angles, dihedral angles, IR have been calculated by means of HyperChem6. 0 program. 36 kinds of Schiff base derivatives of benzylidene adenine have been designed. Also the net charges of main atoms, bond lengths, bond angles, dihedral angles, IR, the energy gap △E between HOMO and LUMO and the nonlinear second-order polarizability β have been calculated by means of HyperChem6. 0 program. The calculated results indicated that the nonlinear second-order polarizability β were up in accordance with the △E down.

设计了腺嘌呤缩苯甲醛36种衍生物，计算了这些分子的气相几何，腺嘌呤缩苯甲醛中各原子的电荷分布，最高占有轨道HOMO和最低未占有轨道LUMO的能量以及它们之间的能量差△E，同时还计算了这些分子的二阶非线性极化率β，我们发现腺嘌呤缩苯甲醛的二阶非线性光学系数与△E有近似一致的变化关系，随着△E的减小，二阶非线性光学系数有增大的趋势。

Therefore, it has the important scientific research value in studying the relationship between the changing of the parameters (including the temperature, the humidity, the grain radius and so on) and the electricity and radioactivity of the medium. Applied the count statistics and the numeral value analysis, the paper analyzes, concludes and contrasts the data sufficiently through the experimentation, and acquires the following results that the resistivity and the polarizability both have the negative relationship with the temperature variety of medium from 0℃ to 200 ℃. The parallactic poalarizability is consistent with the temperature variety in the plan as well as the section, but their trends are exactly opposite. Power supply voltage has no considerable influence to the resistivity and polarizability by using duality variance analysis, however, the detecting depth and the plan position influence them greatly. Different AB/2 interval that increases by degree does not influence variance and the average value of the resistivity and the polarizability remarkably. By using the least double multiplication, the relationship of temperature-time-the influence radius of the fire source is carried up by the mathematic drawing up. After discussing their correl ation, I educe the influence radius of the fire source and carry out the 'trend analysis and forecast to the spacial changing of the temperature and the parallactic polarizability in the end.

本文通过试验并应用数理统计和数值分析等相关理论对所得到的试验数据进行了分析、归纳和对比，得出了介质温度变化在0-200℃内视电阻率和视极化率与温度均表现为负相关性；视极化率与温度在剖面和平面上的变化形态具有很好的一致性，但变化趋势相反；由二元方差分析可得供电电压对视电阻率和视极化率无显著影响，但探测深度和平面位置对视电阻率和视极化率有显著影响；通过假设检验可证不同AB／2递增间隔，对视电阻率和视极化率的方差和平均数影响都无显著性差异；应用最小二乘法对温度——时间——火源影响半径之间的关系进行了数学拟合，讨论了它们之间的相互关系，得出了火源影响的有效半径，太原理工大学硕士研究生学位论文并对温度和视极化率的空间变化作了趋势分析和预测。

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 calculated isotropic polarizability, polarizability anisotropy invariant and hyperpolarizability are 305.4, 188.3, and 1155.4 a.u., respectively.

计算的各向同性极化率、极化率各向异性不变量和平均超极化率分别是305.4、188.3、

The calculated isotropic polarizability, polarizability anisotropy invariant, and hyperpolarizability were 577.7, 96.9, and -22.8 a.u., respectively.

计算的各向同性极化率、极化率各向异性不变量以及超极化率分别是577.7、96.9、-22.8a.u。。

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。