查询词典 vibrational

For intramolecular electron transfer reactions in solution,the fluctuations of the intramolecular vibrational modes are much faster than that of solvent mode.Thus,the reaction-diffusion equation is commonly used to describe the motion of solvent,with a sink function to treat the vibrational high-frequency mode.Based on this theory-so -called the Sumi-Marcus theory,we proposed an imaginary-time split operator approach to solve the reaction-diffusion equation.The approach is applied to evaluate the intermolecular ET rate between oxazine 1 and N,N-dimethlaniline.By measuring the two average survival times of the donor state probability and the rate constant in long time limit,the full kinetics of the ET is revealed with a variety of sink functions.

对于扩散控制的溶液中的电子转移反应，分子内振动模的运动比溶剂运动快很多，Sumi-Marcus理论提出用反应扩散方程(reaction-diffusion equation)处理溶剂的扩散运动，而分子内的振动用sink函数来表示，我们基于此理论发展了用虚时间分裂算符的方法(imaginary-time Split operator approach)解反应扩散方程，并将其应用于嗪1(oxazine 1，OX1)和N，N-二甲基苯胺分子之间的电子转移反应，Sink函数采用几种不同的微扰表达式，通过计算得到给体几率衰减的两种平均速率和长时间极限下的速率常数，揭示了该体系电子转移过程中的一些动力学性质。

We present quantum mechanical vibrational computations beyond the harmonic approximation from effective second order perturbative and variation perturbation treatments defined as static approaches, as well as vibrational analysis from density functional theory molecular dynamics trajectories at 300 and 600 K.

利用超简谐振动近似的有效二阶微扰法(VPT2)和变异微扰法两种静态方法，以及在300和600K下的密度泛函分子动态轨线振动分析方法进行量子力学的振动计算。

You said, trustingly and knowingly, from your Nonphysical Perspective, I'll go forth into this perfect Earth time/space reality because I know that it is the perfect environment to produce, within me, natural asking, and I know that when I, in a vibrational way, ask, that God, if you want to call it that, or Nonphysical Energy or Creative Life Force or All-That-Is, answers the vibrational request.

你在来到这个物质世界以前，从你的非物质视角，曾经坚信不疑而且胸有成竹地说过，"我将前往这完美的地球时空现实中，因为我知道，这是能使我自然产生'要求'的完美环境，而且我知道，当我以振动的方式要求时，那个人们常常称之为无所不能的上帝的，那个非物质能量，那个创造生命的力量，那个涵盖一切的真理，就会响应我的振动方式的要求。"

In this vibrational world, which is everything, you are far more vibrational beings than you are verbal beings.

在这个振动的世界，这一切，你是振动的存在远远超过言语的存在。

As mentioned above, this dissertation can be divided into two parts. One is devoted to study the high resolution ro-vibrational spectra of some asymmetry top molecules, such as D〓O and DOCl. Another is about studying anharmonic force field and vibrational intensities of some symmetry top molecules by quantum chemistry method, such as SiHCl〓 and AsH〓.

因此本论文的工作以此为脉络分为两个部分，第一部分以D〓O和DOCl分子为体系，研究非对称陀螺分子的高分辨振转光谱；第二部分以对称陀螺SiHCl〓和AsH〓分子为体系，用量子化学计算的方法研究了小分子的非谐性力场和振动光谱强度。

According to core observation and description, many deformation structures with seismite characteristics are recognized within sandstone and shale sedimentary strata of Paleogene continental faulted basin in Yangxin Subsag, such as micro-faults, earthquake fissures, liquefaction sandstone veins, water-escape structure, vibrational liquefaction deformation structure, seismic pillow structure and associated structure, etc. The vertical sequence of seismites in Yangxin Subsag, in ascending order, is underlying unshocked layer, micro-faults layer, autoclastic shattered breccia layer, vibrational liquefaction deformation structure layer, seismic pillow structure and associated structure layer, liquefied homogeneous layer and overlying unshocked layer, which corresponds to different earthquake intensity respectively.

通过岩心观察和描述，在阳信洼陷古近系陆源碎屑断陷湖盆砂泥质沉积地层中识别出大量具有震积岩特征的变形构造，如微断层和震裂缝、水下岩脉和泄水构造、振动液化卷曲变形构造、震积枕状层及伴生构造等，同时建立了阳信洼陷震积岩垂向序列，自下而上分别是下伏未震层段、微断层层段、震碎角砾岩段、振动液化卷曲变形层段、震积砂枕及伴生构造层段、液化均一层段和上覆未震层段。

By means of adiabatical elimination of the excited level with assumption of the large detuning between the pumping and ion, we have one cavity mode couples to the vibrational mode of the ion with a nondegenerate downversion and the linear mixing happens between the second cavity mode and the vibrational mode.

分析发现，即使在考虑腔场的衰减和声子模加热的情况下，光腔的输出场在中心频率总存在纠缠。接下来我们研究了在非大失谐的条件，离子辐射场的纠缠特性。

Because the photospheric temperature of carbon stars are less than 3000K and the temperature of rich-dust envelope formed by the mass loss is lower, and therefore most of the energy from carbon stars are radiated between 1 to 60um range, in which the vibrational and ro-vibrational bands of many molecules also lies, the study of infrared spectra in this wavelength range is very important to reveal chemical compositions, dust formation process, the atmospheric structure and evolutionary status of stars.

碳星光球的有效温度不超过3000K，同时较大的质量损失率形成了富碳的尘埃壳层，以致于它的辐射能量主要集中在1—60μm的红外波段上，并且许多分子的转动振动能谱也集中在红外，因此在红外波段的研究对揭示碳星化学成份及其分布、尘埃形成过程、恒星大气结构和演化状态都有十分重要的意义。

The harmonic vibrational force field and the vibrational spectrum of γ-picolinic acid have been calculated by the ab initio gradient program TEXAS using a STO-4-21G basis set.

本文采用TEXAS分析梯度法从头计算程序，以STO-4-21G基组计算了γ-吡啶甲酸的谐性力场和振动光谱。

The theoretical properties of BTATz were estimated by a B3LYP method based on 6-31G basis set. The stable geometric configuration and bond order were obtained. The vibrational frequencies, IR spectrum and thermodynamics properties under different temperatures were obtained from vibrational analysis, and the relationship between temperature and thermodynamics properties was deducted. Pyrolysis mechanism of BTATz was discussed, and the transition state and activation energy of ring opening reaction of the tetrazole were deducted.

用B3LYP方法，在6-31G基组水平上对其性能进行了计算，得到了其稳定的几何构型和键级；在振动分析的基础上求得体系的振动频率、IR谱及不同温度下的热力学性质，并得到了温度对热力学性能影响的关系式；探讨了其热解机理，推断出四唑环开环时的过渡态和活化能。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。