量子化

At last, in order to improve the PEC properties of TiO_2 electrode, polymer dye and inorganic nano-particle were separately used to sensitize TiO_2 film.

最后，为提高柔性TiO_2光电极的光电转化效率，本论文通过高分子染料和无机纳米颗粒量子点对电极进行了敏化处理。

After a brief overview of particle physics and a survey of relativistic wave equations and Lagrangian methods,the quantum theory of scalar and spinor fields, and then of gauge fields,is developed The emphasis throughout is on functional methods,which have played a large part in modern field theory.

近来，一个新的主题正崭露头角，这第三个主题与分数化、拓扑／量子序、弦网凝聚有关，也和新的物质态以及其中显现的规范玻色子和费米子相关。

Constructing a unitary matrix for transformation of coordinates by means of quadratic form theory,the Hamiltonian of the 3D coordinate-momentum coupling harmonic oscillator is transformed into diagonalmatrix,it not only offer a general mathematic method for solving this kind of problems,but also have an active effect upon upgrading students ability to solve physics problems by mathematical theory.

利用二次型理论构造一个幺正矩阵进行表象变换，将|x〉表象中的三模坐标-动量耦合量子谐振子体系的哈密顿量对角化，这不仅提供了一种解决该类问题的一般数学方法，同时对培养和提升学生运用数学工具解决复杂物理问题的能力也具有积极的指导作用。

The properties of strong coupling magnetoploron in the semiconductor quantum dot are investigated by the linear combination operator and unitary transformation methods.

采用线形组合算符和么正变换研究了磁场对半导体量子点中强耦合磁极化子基态的影响。

With the use of linear-combination operator and unitary transformation method,the influence of the dispersion of phonons on the properties of weak-coupling magnetopolaron in a parabolic quantum dot is studied.

利用线性组合算符和幺正变换的方法，研究声子色散对磁场中抛物量子点弱耦合磁极化子性质的影响。

The properties of bound magnetopolaron with strong electron-LO phonon coupling were studied using a linear combination operator and a unitary transformation method in an asymmetry quantum dot.

采用线性组合算符和幺正变换方法，研究了非对称量子点中电子和体纵光学声子强耦合下束缚磁极化子的性质。

Meanwhile, several physicochemical descriptors of xanthone molecules were calculated by using quantum chemistry method.

同时，运用量子化学计算了山酮分子的物化参数，并选择相互作用能、疏水常数(log P；其中P为正辛醇-水分配系数)和山酮分子总能量作为分析结构-电泳迁移定量关系的物化参数，用以研究分离机制及在毛细管区带电泳分离中山酮类化合物与β-CD 和磺酸化β-CD间的分子识别过程。

Meanwhile, several physicochemical descriptors of xanthone molecules were calculated by using quantum chemistry method. Among the physicochemical parameters, interaction energy, the logarithms of octanol-water partition coefficient and total energy of xanthone molecules were selected to investigate the separation mechanism and describe molecular recognition process between the xanthones and the CDs in CZE by means of quantitative structure-electromigration relationships.

同时，运用量子化学计算了山酮分子的物化参数，并选择相互作用能、疏水常数(log P；其中P为正辛醇-水分配系数)和山酮分子总能量作为分析结构-电泳迁移定量关系的物化参数，用以研究分离机制及在毛细管区带电泳分离中山酮类化合物与β-CD 和磺酸化β-CD间的分子识别过程。

Quantum chemical and molecular mechanical methods were employed to study the acylation in the acetylthiocholine hydrolysis catalyzed by acetylcholinesterase.

应用量子化学和分子力学方法研究乙酰胆碱酯酶催化硫代乙酰胆碱水解反应中的乙酰化反应，计算了反应物、过渡态、产物及中间体的几何结构及电子结构。

Molecular geometry,atomic net charge,constituents and energy of the frontier molecular orbital for eight alkylated arylamine anti-oxidant and anti-corrosive additive s have been calculated by density functional theoryat the 6-31G~* basis set level.

采用量子化学方法，在B3LYP/6-31G~*水平上对8种烷基化芳胺抗氧抗腐添加剂的平衡几何构型、净电荷及前线轨道组成和能级等进行了理论计算研究，探讨了这些化合物的结构特征。

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。