delocalization

The Effect of Delocalization π Bond on the Stability of Chemical Bond

离域π键对化学键稳定性的影响

A Theoretical Study of Electronic Delocalization with Progressive Orbital Deletion Procedure

用分子片轨道逐步剔除法研究电子离域

The Law Study of International Commercial Delocalization Arbitration

国际商事仲裁非内国化法律问题研究

Similar delocalization is found in other conjugated systems .

在其他共轭体系中，也发现类似的离域。

A cluster local delocalization molecular model ( CLD-MO ) was proposed .

本文介绍了原子簇局部非定域分子轨道模型的处理要点。

Delocalization of Bonds and Molecular Constitutions of Inorganic Three - atomic Molecules

无机三原子分子的离域π键和分子结构

A new model for localized magnetic moment and its delocalization of f electrons in metals (ⅰ)

金属中f电子局域磁矩及其退局域化的一个新模型（Ⅰ）

Separation of DFT Energy and the Study on π - Electron Delocalization Energy in Benzylideneaniline

DFT能量分解和氮苄叉基苯胺分子π电子离域能的研究

In this way , the interaction between orbitals is decreased and the accurate delocalization energy can be obtained .

这样可将轨道间的相互影响减小以至消除，从而得到各轨道的精确的离域能。

In general , every structural characteristic that favors the delocalization of the electronic charge leads to an increase in stability .

一般说来，每个有利于电荷去域性的特征结构，都导致稳定性增加。

The association chain implied is general reactivity , delocalization , heat of reaction , activation energy , velocity constant .

和该量有牵连的因素是一般活性，离域作用，反应热，活化能，速度常数。

There is a EPR signal with the characteristics of delocalization unpaired electrons ;

有非定域化不成对电子特征的顺磁共振信号；

Taking molecules of typical " delocalization effect " as example , this paper analyzes the formation and characteristic of delocalization π bond .

以具有典型离域效应的分子为例，分析离域π键的形成及其特点。

This part makes a positive research on delocalization through analyzing the legislation about arbitration , the international treaties and the classical decisive cases .

这一部分是通过对各国仲裁立法、国际公约和经典的判例来对非内国仲裁理论进行实证的分析。

Nevertheless , " delocalization " has indeed promoted the development of international commercial arbitration in terms of harmonization and relaxation .

尽管如此，这种理论确实在客观上推动和促进了国际商事仲裁的发展，即国际仲裁法的一致化和各国对仲裁法的放松化。

This attribute to the interaction of copolymer and water molecules which may cause the electron charge delocalization along the polymer backbone . 5 .

这是因为水分子的进入增加了共聚物和极化的水分子之间的相互作用引起电子的电荷沿着聚合物骨架离域。

The reduced electrons are delocalized among the molybdenum atoms and the degree of delocalization decreases with the decrease in temperature .

ESR研究表明，还原电子在钼原子间离域且其离域程度随温度降低而减弱；

The analysis of the spin density distribution reveals that both the spin polarization and spin delocalization contribute to the antiferromagnetic interaction .

自旋密度分布表明，两相中自旋极化效应和自旋离域效应相互作用的结果导致体系表现为反铁磁相互作用。

Because of the interaction of orbitals the calculated delocalization energy is different if the order in which the orbitals are deleted is different .

由于轨道之间的相互作用，使离域能的计算与轨道剔除的次序有关。

Phthalocyanines ( PcS ) and related compounds with their extended two-dimensional 18 - π electronic delocalization are important targets to study nonlinear optical response .

酞菁（PcS）及其相关化合物具有二维18π电子离域体系，它是研究非线性光学响应的重要目标化合物。

The Mulliken population analyses show that in the title complexes there is a spin delocalization mechanism of magnetic coupling through the bridges .

Mulliken自旋布居分析表明，无论是三唑桥还是异硫氰酸根桥，它们的磁交换作用机理都是磁中心的自旋离域。

Proton acids doping caused the inter-molecular and inner-molecular delocalization in PAN and improved the conductivity .

这是因为质子酸的掺杂使聚苯胺分子内及分子间的电荷离域化增强，电导率大幅度提高。

The experimental results show that this novel azobenzene compound possesses the large third order nonlinear optical coefficient , which may result from the strong π - electron delocalization .

实验结果的分析表明，该化合物具有较大的三阶非线性极化率；其三阶非线性主要来源于强的π电子离域性。

For theory of delocalization arbitration is a development that the party chooses to be the procedural law , also is to expand the scope of party autonomy .

对于非内国化仲裁理论是当事人选择适用程序法的又一发展，也是对当事人意思自治范围的扩大。

They have similar structural characteristics with conjugated π - electron system , which is beneficial to electron delocalization and enhancement of NLO responses of the materials .

这种结构上的特点有利于分子内电子的离域，从而有利于物质非线性光学效应的增强。

The π electronic delocalization is destabilization in cyclopentadiene , and its delocalized π system is also destabilized .

在环戊二烯分子中，π电子的离域和离域的π体系均是失稳定的。

The good conductivity of PAN-DBSA compared to PAN-HCl was attributed to its enhanced delocalization effect on the PAN chains .

十二烷基苯磺酸比盐酸掺杂的PAN导电性更优良归因于其对PAN链更大的离域作用。

In this paper , three impersonal criteria : delocalization , false-detection rate , and repeatability are presented to evaluate the performance of an interest points detection algorithm .

本文首先给出了一个评价兴趣点检测算法性能的客观标准，这个标准包括以下三个准则：点位置偏差、误检率及重复度。

The calculation results show that when delocalization of the π electrons in the organic molecules is increased , the maximum TPA peaks take place inred-shift way .

计算结果表明，随着有机分子的π电子离域结构的增大，最大吸收峰红移。

The influence of delocalization possibility on the mixing interaction between the conduction band of SrS and the excited levels of Ce 3 + was analysed .

在分析Ce3＋激发态能级与导带之间杂化相互作用的基础上，讨论了电场强度与场致电离之间的关系。