离域

It was found that the change of surface potential of the purple membrane resulting from acetylation induced the change of local protein conformation Which could be delocalized all over the protein to a great extent and affected the nature of binding sites of retinal and the structure of the retinal chromophore.

结果表明：酰化引起的表面电位的改变诱导了蛋白局部构象的改变。这种改变在很大程度上离域到整个蛋白分子中而影响了视黄醛结合位点的性质及生色团的结构，从而导致可观察的光谱变化。

The conjugational and delocalizational energy levels were calculated by Gaussian 98, and its hypsochromic shift mechanism was also discussed.

用Gaussian 98计算了共轭p键和离域键能，由此讨论了吸收波长发生蓝移的机理。

The factors such as conjugate framework withsmall conjugation energy, central asymmetry, long conjugate chain,introduction of electron donors-acceptors, strong electron-donating orelectron-withdrawing abilities, long distance between electron donors andelectron acceptors, good coplanarity and so on lead to high third-order optical nonlinearities.

离域能小的共轭骨架，非中心对称结构，长的共轭链，吸供取代基的引入，取代基强的供电子性或吸电子性，长的吸供电子取代基之间的距离，以及良好的共平面程度等因素有利于获得较大的三阶非线性光学性能。

Similar delocalization is found in other conjugated systems.

在其他共轭体系中，也发现类似的离域。

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。

In chapter 9, two molecules, C〓H〓 and BH〓NH〓, are used to investigate electron delocalization and transfer.

在第九章中，我们选择了两个典型的分子C〓H〓和BH〓NH〓来研究电子离域与传递效应。

Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account.

其它影响因素如溶剂化，熵和电子离域能对相对能级的改变也起了一定的作用。

Because of the nondirectional property of ionic bond and the fully delocalized property of pi electrons on carbon layers, translation will not change the electronic structure of carbon layers, resulting in that A-GIC and AE-GIC hare quite good lubrication as well. The electrons come from metals mainly transfer to the delocalized pi orbitals of carbon layers, and the increase of delocalized electrons will make metal graphite intercalation compound more electro-conductive than graphite itself. Because ionic bond between metals and carbon layers is weaker and its lattice energy is much less than that of typical NaCl crystal, so metals could be left from interlayers. The Mulliken populations of C-C in intercalation compounds are smaller than that of graphite, and the HOMO energy level of GIC is higher than that of graphite too. These Lead to that GIC will easier be oxidized.

由于离子键没有方向性，又由于碳层中的π电子是充分离域的，所以碳层不会由于平移而改变其电子结构，金属石墨层间化合物仍具有很好的润滑性；金属失去的电子主要转移到碳层的离域π轨道中，碳层离域电子增多使金属石墨层间化合物的导电性比石墨增强；金属与碳层间的离子键强度比较弱，其晶格能远小于典型的离子晶体，因而金属易从石墨层中脱出；金属石墨层间化合物中的C-C间Mulliken布居值小于石墨中C-C间的值，且金属石墨层间化合物的HOMO能级也高于石墨的HOMO能级，所以石墨层间化合物中的碳原子较石墨更易被氧化。

According to XPS data, the surface basicity of active coke is mainly ascribed to the delocalized π electrons of carbon platelets.

由XPS数据可知。随着活性焦表面的氧含量的减少，离域π电子趋于活跃，活性焦的碱性增加，证实了碳原子平面层上的离域π电子是活性焦表面碱性位存在的主要原因。

Using the enthalpy of formation of benzene and NO with the similar delocalizing electronic structure to correction, the calculated enthalpy of formation of TATB is acceptable compared with the experimental results.

结果表明，TATB分子中的苯环离域电子结构引起TATB生成焓计算的较大的系统偏差；利用具有相似离域电子结构的苯和NO的生成焓进行修正，计算得到的TATB生成热与实验结果符合较好。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。