对于一般的六角链，一些重要类型的共轭分子的极值问题已得到解决。
For the general hexagonal chains, the extremal problem of some important types of conjugated molecules have been solved previously.
通过实例介绍了运用HMO理论根据分子对称性获得共轭分子简并能级波函数的一种方法。
This paper introduces a new method to calculate wave function of degenerate energy lev-el for conjugated molecules by HMO theory in the light of molecular symmetry.
拓扑电荷稳定规则也适用于无机共轭分子，用这个理论解释了无机共轭分子稳定性存在的原因。
The topological charge stabilization rule also fit well to the inorganic conjugate molecules and explained the reason of the stability of the inorganic conjugate molecules.
与其他量子力学计算结果比较，表明这种动力学李代数方法在预言有机共轭分子的非线性光学性质上同样有用。
Compared with other quantum calculations, DLA method appears to provide an effective method for the calculation of the hyperpolarizability of conjugated organic molecules.
这类材料的合成研究呈现出共轭链由短到长，分子由简单到复杂，由一维到多维的趋势。
Studies on the synthesis of these NLO materials show the evolution of conjugated chains longer, molecule structure more complex and multi-dimensional.
在概述分子轨道中的微扰理论的基础上，重点对微扰法、能量相同和不同的基础轨道的微扰进行了深入的论述，并进一步分析了这一理论在有机共轭体系中的应。
The theory in the micro-interference of molecular orbits is generalized in this paper and especially the method of micro-interference with basal orbits in different energy is probed.
分子共平面，共轭作用强，对增大二阶光学非线性有利。
Coplanar molecules having stronger conjugation effects facilitate the nonlinear second-order optical susceptibilities too.
研完了分子链的柔性、分子结构和共轭度对中介相转变温度的影响。
The results showed that the phase transition of model compounds and polymers depend upon molecular structure, conjugated chain and molecular flexibility.
结果表明，苯环上取代基的种类及位置对化合物分子的共轭体系及共平面程度有较大影响。
The results indicate that the kind and position of the substituents in aniline ring greatly affected the conjugation system and coplanarity of the products.
每个分子中所有的碳原子和氮原子都在同一个平面上，表明这两个分子都是共轭芳香性分子。
All the atoms in each molecule are coplanar, indicating the whole molecules is fully delocalized and conjugated.
自然键轨道分析表明分子内与分子间超共轭和重杂化理论可以解释这些氢键的形成机制。
Natural bond orbital analysis shows that these H-bonds can be interpreted with the theory of inter-and intra-molecular hyperconjugation and rehybridization.
该分子具有大的TPA截面是起源于该分子的刚性平面共轭结构所固有的线性吸收特性和TPA共振增强；
The large TPA cross section may result from the intensive linear absorbance of the molecule due to its conjugate rigid plane structure, and the two-photon resonance excitation condition.
介绍了自组装技术用于处理共轭高分子的一些实际应用。
Some applications of se lf-assembly technique in molecular-level manipulation conjugated polymer have been introduced.
综述了最近几年来，功能化富勒烯有机小分子、共轭高分子和金属配合物发光材料的国内外研究状况及应用。
The recent progress and application of functional fullerene organic luminescent materials , including low molecules, conjugated polymers and rare metal complexes , are reviewed in this paper.
超支化共轭聚合物由子其所具有的良好的非线性光学特性，在功能高分子领域具有广泛的应用前景。
Based on the excellent nonlinear optical properties of hyperbranched conjugated polymer, those polymers are attracting more and more attention as functional polymer materials.
有机电子材料有时也称为有机半导体、导电聚合物、导电高分子、导电塑料、共轭聚合物等。
Organic electronic materials are also called organic semiconductors, conducting polymers, conducting plastic, conjugated polymers et al.
分子链共轭程程度越低，还原速率越高。
The lower the conjugation extent of the molecular chain, the higher the reduction speed.
结果表明，偶氮苯衍生物分子具有很好的共轭性，在给吸电子基团作用下，电荷转移明显，展现示出较强的极性。
The results indicated that (1) azobenzene derivatives possess good conjugation. When linked with electron-donor and electron-acceptor, the charge transfer is obvious, thus shows strong polarity.
摘要：叶黄素分子中含有多个共轭双键，导致其水溶性和稳定性较差，极大地限制了其生物利用度。
Abstract: Lutein has many conjugated double bonds, which lead to poor aqueous solubility and stability and constrain its application in commercial and clinical fields heavily.
是高度共轭的笼状结构的碳素体，分子结构中六边形环间的共价碳碳双键是富电子区，反应性能与烯烃有类似性，主要表现为双键加成。
C_(60) is one kind of fullerene with high conjugated cage-types structure. Its covalence between two hexagons has high reactivity, which behaves as addition reaction of double bond.
质子化状态的不同会影响分子结构的共轭范围，进而对其荧光光谱和紫外可见光谱行为产生深刻影响。
The maximal emission wavelength changes into 400 nm. Further analysis demonstrated that the above changes arise from the variation of protonation states of OFL molecule.
结果表明5，6，9，10-四脱氢苯并环辛烯分子平面刚性结构，可能稳定存在，但由于苯环共轭性的削弱和较高的张力，使得它易于分解。
Because of the weakened conjugated actions between the carbon-carbon double bonds in the benzene ring and its strong strain in molecule, 5,6,9,10- tetradehydrobenzocyclooctene decomposes easily.
结果表明5，6，9，10-四脱氢苯并环辛烯分子平面刚性结构，可能稳定存在，但由于苯环共轭性的削弱和较高的张力，使得它易于分解。
Because of the weakened conjugated actions between the carbon-carbon double bonds in the benzene ring and its strong strain in molecule, 5,6,9,10- tetradehydrobenzocyclooctene decomposes easily.
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