离域

The understanding of the delocalization of π electrons in the conjugated systems is the foundation of studying a...

共轭体系中π电子的离域性，提供了研究设计新型有机材料的结构基础，涉及导体，铁电体，磁性材料及非线性光学材料等有关领域。

The results show that the triplet state of the complex is more stable than the singlet one and there is a weak effect of spin delocalization in the complex.

结果表明：配合物分子的三重态比单重态稳定，电子自旋布居高度集中在两Co原子上，体系中存在较弱的自旋离域效应。

The obtained electronic configuration suggests electron delocalization in the compounds.

计算得的化合物的电子结构说明在Cu-Mo-S簇合物中存在电子的离域现象。

The results showed that a red-shift of the maximum absorption took place when the delocalization of the π electrons in the organic molecules increases.

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 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。

The result indicated that deoxidizing emeraldine destroyed of quinone diamide conjugate structure, both of the conductivity and solubility were reduced. The charge was delocalized along the molecular chains after protonic acid doped, which was beneficial to the electric conductivity.

结果表明，还原本征态聚苯胺破坏了聚苯胺链中的醌二亚胺的共轭结构，电导率和溶解性能均下降；质子酸掺杂本征态聚苯胺后分子链上的电荷离域程度增加，有利于电子流动，从而提高其电导率。

The results indicate that the carbon and the oxygen in the —COOH group,and the nitron in —2—NH group come into formation of different large π bonds with the benzene rings,and there is a dihedral angle of 63.2° because of place blocking and conjugate effect.

结果显示，该分子羧基的碳氧原子、磺酰胺基的氮原子与苯环形成不同的离域大π键，空间位阻效应和共轭效应使两个苯环不在同一平面，二面角为63.2°。

On the electronegative elements, bonding electron number and bonded hydrogen atomic number, new molecular topological index is developed to do research on creaturely activity for alcohol, aether, ketone and ester in this paper.

基于元素的Pauling电负性，原子成σ键的电子数，原子直接键连的成σ键的氢原子数目和原子在形成离域π键时所提供的P电子数，定义了一种原子点价公式，构建了分子连接性指数。

The factors such as introduction of aromatic heterocycle with small delocalization energy, formation of acceptor-donor structure, and strong electron-donating or electron-withdrawing abilities of substituents lead to the high third-order nonlinear optical property.

引入离域能小的芳杂环，形成吸供构型，增大取代基的吸或供电子能力等有利于获得较大的三阶非线性光学性能。

The results show that the major contribution to DOS of Mg and Pb are the 2p orbit of Mg and the 5d orbit of Pb, followed by the 3s orbit of Mg and the 6p orbit of Pb, the 6s orbit of Pb is the smallest one. There are a large number of charges around Mg, it has the characteristics of typical metal bond. Mg and Pb share some charges to form covalent bond, but the distortion of the charge at the junction is little; the proportion of covalent bond is less than the metal bond, Mg2Pb is semimetal. The elastic modulus and shear modulus of Mg2Pb are 68.6 and 27.9 GPa, respectively. Based on Pugh empirical criterions and Poisson's ratio, Mg2Pb is brittle in nature.

结果表明：Mg和Pb对态密度的贡献主要是Mg的2p轨道和Pb的5d轨道，其次为Mg的3s轨道和Pb的6p轨道，Pb的6s轨道贡献最小；在Mg原子周围有大量的电荷存在，呈典型的金属键特征，Mg、Pb之间存在共用的电荷，有较强的离域性，以共价键形式存在，但交界电荷的畸变不大，故共价键所占比例较少，金属键所占比例较大，Mg2Pb化合物呈半金属性；Mg2Pb的弹性模量和切变模量分别为68.6和27.9 GPa，Pugh经验判据和泊松比均表明Mg2Pb具有脆性。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。