查询词典 transition energy

Therefore, the energy of π(superscript *) orbit decreases, the probability of optical absorption increases, the n→π(superscript *) electronic transition enhances, and the absorption band broadens and shows red-shift. The above phenomenon will result in the degradation of optical properties of ZnO/silicone white paint under proton exposure.

同时Si-O-Si链内氧原子未成键的孤对电子与邻近硅原子的3d空轨道配位，降低了π轨道的能量，提高了对光吸收的几率，增强了n→π电子跃迁，使吸收带红移，从而导致ZnO/silicone白漆光学性能退化。

The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通过研究，获得了三种情况下两种反应通道(分别对应于顺式-和反式-丙烯醛)中涉及的反应物、产物、中间体、过渡态的优化结构及其能量，并由此得到了反应的势能面图，在电子微观层次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程。

Immunotherapy is a kind of tumour treatment with bright future on improving power for killing tumour cell by starting active immunity energy of self in order to monitor cell variety, eliminate remaining carcinoma focus, to avoid transition and relapse,to increase cure rate of tumour, to prolong living time and to improve living quality etc'4'.

肿瘤特异性免疫治疗是通过启动自身主动免疫能力和提高杀伤肿瘤细胞能力，以达到监视细胞异变、消除手术残留癌灶、防止转移复发、提高肿瘤治愈率、延长存活期和提高生活质量的一种很有前途的肿瘤治疗方法。

It is simply an acute attunement to what I like to call, the "death energy", an affiliation and natural affinity some people have for the current of transition.

这是一个单纯的急性能配合我在此呼吁，"死亡能量"父亲和自然的一些人对当前的过渡。

The relationship of optical gain with well width, lnAs composition and the carrier concentration is obtained by considering the energy band of the strain material, transition matrix, band gap shrinkage due to carrier concentration, and carrier intraband relaxation.

考虑了应变体材料的能带结构、光跃迁矩阵元、载流子浓度引起的禁带变窄以及载流子带内驰豫效应后，模拟得到了GaAs／InGaAs／GaAs应变量子阱光增益与阱宽，InAs给份及注入载流子浓度的关系。

It is found that the GRAPES model is able to reproduce the observed atmospheric kinetic energy spectrum, including the transition to k-5/3 dependence in the small-meso scale. Meanwhile, there exists a maximum effective time-step, when the time-step is smaller/larger than the maximum effective time-step, the simulated kinetic energy spectrum gradually decays/unphysically grows as the time-step increases.

文中使用基于半隐式半拉格朗日动力框架的全球/区域一体化模式GRAPES进行数值模拟试验，然后计算GRAPES模式的动能谱并与实际观测得到的大气动能谱比较，得到GRAPES模式能够很好地复制出实际大气动能谱的分布特征，包括从大尺度区域的E∝k-3关系向中尺度的E∝k-5/3关系的过渡特征。

In the paper, what are introduced at first are the energy dispersions of quantum well, the interband transition and the exciton binding energy. Also some fabrication methods of GaN-based quantum well are mentioned.

首先，在第一章中介绍了量子阱的基本能带结构，带间跃迁以及激子束缚能，并简单介绍了几种量子阱的制备方法。

From the potential energy profile, it can be predicted that, the dominant channel of this reaction consists of three steps: the two reactants first form a three-membered ring intermediate (INT1) through a barrier-free exothermic reaction of 19.2 kJ/mol; three-membered ring intermediate (INT1) isomerizes to a four-membered ring silylene(P2) via the transition state (TS2) with an energy barrier of 22.8 kJ/mol; four-membered ring silylene(P2) further reacts with ethene(R2) to form a silicic bis-heterocyclic compound (P3), which is also a barrier-free exothermic reaction of 132.2 kJ/mol.

用CCSD//MP2/6-31G*方法研究了单重态二甲基亚烷基硅烯与乙烯生成硅杂双环化合物环加成反应的机理，根据该反应的势能面可以预言，该反应的主反应通道有三步组成：第一步是两反应物（R1， R2）首先生成了一三元环中间体（INT1），它是一无势垒的放热反应，放出的能量为19.2 kJ/mol；第二步是三元环中间体(INT1)经过渡态TS2异构化为了四元环硅烯（P2），其势垒为22.8 kJ/mol；第三步是四元环硅烯（P2）进一步与乙烯(R2)反应生成了硅杂双环化合物（P3），该反应也是一无势垒的放热反应，放出的能量为132.2 kJ/mol。

Multiple-paths hydrogen abstraction reactions of fluorine -with CH_3OH have been investigated at the MP2/6-311 ++ g level. The potential energy surfaces for H-abstraction reaction from carbon atom and oxygen atom were given respectively. The results indicate that there is only one minimum energy path for hydrogen abstraction from carbon atom, while multiple paths were found for hydrogen abstraction from oxygen atom. All the stationary structures, frequencies as well as PES sketch of all channels were given, in which the dominant channel is by a five-member ring transition state. The calculated heat of reaction is 170.62 kj/mol for channel 1, 119.41 kJ/ mol for branch channel 6. The results are in good agreement with experimental data.

以MP2/6-311 ++g水平上详细研究了氟原子与甲醇抽氢反应的多通道反应机理，得到了各条通道中涉及的驻点的构型和振动频率及其能量，给出了两张完整的反应势能面，结果表明，氟原子从C原子上抽氢时有一条明显的最低能量通道，而从氧原子上抽氢时要涉及多条分支通道和多个驻点构型，给出了各分支通道势能面示意图，结果表明以形成五元环状过渡态通道为优势通道，计算得到经途径1生成CH_2OH时反应放热170.62kJ/mol，经分支途径6生成CH_3O自由基时反应放热119.4 kJ/mol，此结果与实验值一致。

One has put forward mechanical model ,which is used to analyze joint energy,atom transition of matter of medium layer, diffusion and solid solution,by means of energy theory of quasi-continuous body.

该方法减少了TIP技术的限制，扩展了其适应性。实验结果表明，本文提出的算法是有效的，具有实际应用价值。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失