电子能级

Excitations from localized states to the conduction band account for the absorption edge shift toward lower energies observed in the case of N/TiO_2 with respect to pure TiO_2.Mixture of visible light absorption of nitrogen doping and oxygen defect gave no obvious onset in the whole range between 400 and 800nm were observed of the samples N/TiO_(2-)A and N/TiO_(2-)M.

UV-VIS-DRS分析掺杂N/TiO_2结果表明，N/TiO_2-H和N/TiO_2-T两种催化剂在490nm处有吸收带边，可见光激发途径是掺杂的N以填隙方式形成的杂质能级吸收电子发生的跃迁引起的；而N/TiO_2-A和N/TiO_2-M两种方法得到的N/TiO_2在整个可见光区域内具有可见光吸收，没有显著的可见光吸收带边，其对可见光的激发途径是掺杂N和氧空缺共同作用的结果。

Transition probabilities, oscillator strengths, and lifetimes of configurations, multiplets, and individual lines for many-electron atoms and ions are studied employing the WBEPM theory. Transition probabilities and oscillator strengths for alkali metal atoms, alkaline-earth elements Be, Mg, Be , and Mg , carbon atoms and its ions , nitrogen atom and its ions , oxygen atoms and its ions , fluorine atom, Ne , and IB elements are calculated. Lifetimes of C, N, and O atoms are evaluated as well.

运用WBEPM理论对多电子原子和离子的组态、谱项和能级间的跃迁几率、振子强度以及辐射寿命进行系统地研究，计算了碱金属原子、碱土金属的Be、Mg原子及其一价离子、C原子及其离子、N原子及其离子、O原子及其离子、F原子、Ne离子和重金属IB族原子的跃迁几率和振子强度以及C、N、O原子的辐射寿命。

With quantum chemical calculation, all the information about electronic and spatial structures of specific compounds can be obtained, including molecular orbital energy level, atomic charge density, polarizability, and electrostatic charge of molecules.

通过对化合物进行量子化学计算，可以获得有关分子的电子结构和立体结构信息，如分子轨道能级、原子的电荷密度、极化率以及分子的静电荷等。

2A_1-~2B_1 electronic transition,molecular constant,rotational energy term,isotopic effect

2A_1-~2B_1电子态跃迁，分子常数，转动能级谱项，同位素效应

Finally, the electronic structure of cysteine with the potential of dipoles is calculated.

计算结果显示，水分子对半胱氨酸电子结构的主要影响是使半胱氨酸费密面以下各能级整体下移了约0.032Ry，并使费密面上的能隙增大了16％。

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。

The experimental data also shows that the energy gap for electron transition of acetic acid molecules does not change in various molecular associations.

实验数据还表明：不同的分子缔合结构并不改变乙酸分子中的电子跃迁能级间隔。

Rare earth element possess abundant and particular electronic energy band structure,which lead to plentiful electron transition, so these element obtain multiform luminescencecharacter, this series of materials hold important place in luminescence materials zone.

稀土元素原子具有丰富的、特殊的电子能带结构，为多种能级跃迁创造了条件，从而获得良好的发光性能，该系列材料在已开发的发光材料中占有重要的位置。

By the studies of nanosecond flash photolysis and estimates of excited state energy level, we deduce that there is a charge-transfer excited state corresponding to the transfer of an electron from the zinc porphyrin to the Ru-based moiety of 5-Zn in acetonitrile when exciting at λ= 532 nm.

纳秒闪光光解的研究和激发态的能级估算表明在乙腈溶液中，用波长532nm的激光激发5-Zn，可以形成一个电荷分离态，它对应于锌卟啉到联吡啶钌的电子转移过程，这个电荷分离态表示为：PZn~+-Ru~+。

Because of the interaction between bonds, the variation of wave function of a shallow level is small, but the correction on the ionization energy may be appreciable.

对浅能级，由于键间相互作用，电离能可以有相对较大的修正，但波函数却变化很小，这与电子自旋共振超精细结构的实验结果一致。

The concept of equivalent rotationally rigidity is offered and the formula of rotationally rigidity is obtained.

主要做了如下几个方面的工作：对伸臂位于顶部的单层框架—筒体模型进行分析，提出了等效转动约束的概念和转动约束刚度的表达式。

Male cats normally do not need aftercare with the exception of the night after the anesthetic.

男猫通常不需要善后除了晚上的麻醉。