偶极矩

对这和偶极矩大小的解释必须明确研究两个有关的因素。

An explanation of the magnitude of such a dipole moment must seal explicity with two contributing factors .

非线性光学偶氮分子的合成和跃迁偶极矩的测定

Synthesis and Determination of Transition Dipole Moment for Nonlinear Optical Azo Chromophores

提高3′位C原子的负电荷和增大分子偶极矩将有助于提高化合物的抗癌活性。

Improving the negative charge at position 3 ′ and molecular dipole moment can increase the anticancer activity .

结果表明，电子偶极矩改变随Al浓度的增加非线性减小。

It is shown that the moments of dipole change decrease with Al content non-linearly .

He-N2O偶极矩面及振转跃迁强度的理论研究

Theoretical Studies on Dipole Moment Surface and Ro-vibrational Transition Intensities of He-N_2O

XHn型分子的红外光谱、势能面和偶极矩面研究

Study on the Infrared Molecular Spectroscopy of XH_n Type Molecules

第二章研究双模Raman跃迁模型中原子偶极矩信息熵压缩的动力学。

In chapter 2 , the dynamics of the information entropy squeezing of the atomic dipoles in Raman transition model is investigated .

针对三轴稳定微小卫星，采用拟PD控制算法设计了期望的磁控力矩，设计了使能量最省的磁偶极矩。

A quasi PD control algorithm is designed , and the energy-optimal magnetic dipole moments are generated by the expected magnetic control torques .

结果表明，分子是否具有平面构型和广泛共轭体系、3′位C原子的净电荷、分子偶极矩等参数的差异是影响各异构体药效的主要因素。

Results show that the molecules whether or not have a plane configuration and conjugated system , the net charge at position 3 ′ and molecular dipole moment are the main factors to affect activity .

这些描述符包括辛醇/水分配系数lgP、分子表面积A、相对分子质量Mr、偶极矩μ-y和μ-z。

These descriptors include the octanol / water partition coefficient , the molecular area , relative molecular mass and molecular dipole .

在大气中，纳米金红石TiO2的介电损耗以极化损耗（电偶极矩转向极化和离子弛豫极化）为主，而在真空中则以电导损耗为主。

In air , ion relaxation polarization strongly affects the dielectric loss , whereas in vacuum , the dielectric loss depends heavily on electric conductance .

抑制COX作用主要与电子总能量呈负相关，与分子总能量和分子偶极矩呈正相关。

COX inhibitory activity was related negatively with electronic total energy , but positively with molecular total energy and molecule dipole moment .

色电偶极矩的存在将提供另一种CP破坏的来源，用于解释宇宙中粒子和反粒子的不对称性。

The existence of color-electric dipole moment will provide another source of CP-violation , which is crucial in explaining the disparity between matter and antimatter in the Universe .

前人的有关AB效应的研究明显地表明，在电磁场中运动的带电粒子或者带电偶极矩的中性粒子将会产生量子相位。

The studies concerned about AB effect clearly show that charged particle or the particle with dipole moment moving in an electromagnetic field can produces the AB phase .

首先讨论了具有不同叠加方式ZnO双层纳米结构的相对稳定性和电子结构性质，计算表明两个单层之间通过静电吸引和偶极矩相互作用耦合在一起。

First we investigate the relative stabilities and electronic structures of various stacking configurations for ZnO bilayer , which reveals that only the electrostatic attraction and the dipole moment interaction exist between the two single ZnO layers .

结果：这些化合物对5-LO的抑制作用主要与LUMO和HOMO本征值之差以及分子偶极矩呈正相关；

RESULT : 5-LO inhibitory activity was correlated positively with difference of LUMO and HOMO , and molecule dipole moment .

HOMO-LUMO能隙随着电场的增强减小，而体系的偶极矩表现出增大的现象。

The electric field reduces the HOMO-LUMO gap and increases the dipole moment .

根据实验所得的QSAR方程，证明该类药物分子当电偶极矩小（苯环对位有推电子基团）、亲水性高时，其急性毒性较低。

According to the QSAR of our experiment , the compound with low acute toxicity may be obtained when the molecular dipole moment is small and hydrophilicity is high .

分析认为，在静电场作用下电偶极矩沿电场方向分布的H2O具有最稳定的状态，能量的分布函数具有最大值，这些结果是诱发冰核形成、抑制冰晶生长的原因。

The analysis indicates that the H_2O whose molecule electrical dipole moment distributing along the direction of electrostatic field gets in the most stable state with the maximum energy distribution function .

碱金属碳硼烷具有较低的跃迁能，较高的振子强度以及较大的跃迁偶极矩导致其具有较高的二阶NLO响应。

A lower transition energy with a larger oscillator strength and a larger transition moment will lead to a larger second-order NLO response in alkali-metal carborane .

研究了非线性双光子JaynesCummings（JC）模型系统中原子偶极矩高阶压缩的时间演化特性及其产生条件。

The time evolution properties of higher order squeezing of atomic dipole and its producing conditions in the nonlinear two photon Jaynes Cummings model are studied .

MEEM模型下分子偶极矩的计算

The Calculation of Dipole Moment by MEEM Molecular Selection

外电场使分子的LUMO-HOMO能隙减小，分子的偶极矩增大。

The external EF decreases the LUMO-HOMO gap and increases the molecular dipole moment .

发现在光作用下C3很容易发生分子内电荷转移，进而转变为扭曲的分子内电荷转移，产生很大的偶极矩变化。

The result showed that upon excitation compound C3 could form its intramolecular charge transfer state easily and furthermore transform to a twisted intramolecular charge transfer state accompanying with a very large change of dipole moment .

本文计算了基态自由基N2H（~2A′）的平衡几何、离解能、偶极矩、力常数和振动频率。

The present paper is to provide the calculated results of equilibrium geometry , energy , dipole moment , force constants and vibration frequencies for the ground state free radical N_2H ( ~ 2A ' ), from which an analytical potential function has been derived .

通常假定垂直磁偶极矩在其旋转频率上的辐射Wd是所有脉冲星制动的唯一来源（我们称之为POG假定）。

Usually it is suggested that all pulsar 's rotational braking only comes from the radiation Wd of normal magnetic dipole moment in rotational frequency ( We refer it to the POG hypothesis ) .

WTX-1型偶极矩仪

Motel WTX-1 Dipole Moment Meter

文中还利用了Bilot－Kawski公式估算了化合物2－TCVA在激发态与基态时偶极矩的差值为18.8D。

The dipole moment difference between excited state and ground state for 2-TC-VA was estimated as 18.8 D.

随着外加电场强度的增加，C60分子的偶极矩增大，系统能量、LUMO，HOMO能级减小，但LUMO，HOMO之间的能隙却先是减小，然后增大。

With increase of electric field intensity , dipole , total system energy , LUMO and HOMO energy level of C60 molecule decrease . However the energy gap between LUMO and HOMO decrease firstly , and then increase .

HOMO-1和LUMO+1能级变化幅度不大，而偶极矩差异较大；

Energy levels of HOMO-1 and LUMO + 1 change limit , but huge difference in moment of dipole ;