查询词典 vibrational

The results show that the ν_2 vibrational frequency of aragonites from nacreous layer has the mean value of 863.6 cm~(-1 )which is about 7.9 cm~(-1)and 9.1 cm~(-1), higher than that of aragonite from coral skeleton and natural inorganic aragonite respectively.

结果表明，珍珠和贝壳珍珠层文石的ν2频率平均值为863.6 cm-1，较珊瑚及天然无机文石存在明显的蓝移现象，蓝移值分别为7.9 cm-1和9.1 cm-1。

It is a simple and convenient method in order to compute the natural frequency of a more complicated vibrational system.

能量法是从机械能守恒定律出发，对于计算较复杂的振动系统的固有频率来得更为简便的一种方法。

In the perturbation approach the ro-vibrational Hamiltonian is expanded in terms of the normal coordinates, their conjugate momenta, and the rotational momenta. The harmonic oscillator and rigid rotor wavefunctions are then used as the basis functions.

根据光谱理论，在谐振子和刚性转子的表象中，通过切变换导出一个等效的哈密顿量，考虑各种共振相互作用后，对角化哈密顿矩阵得到本征能量。

The instruments give a natural vibrational energy to a music that is never obtrusive.

这些文书提供一个自然振动能量，一个音乐是永远不会碍眼。

Secondly, femtosecond time-resolved studies using fluorescence depletion spectroscopy were performed on Rhodamine 700 and Oxazine 750 in solutions to study the ultrafast dynamics, such as vibrational relaxation and the energy transfer from the solute to solvent.

本文的主要内容是利用飞秒时间分辨荧光亏蚀光谱探测技术对液相体系中的染料大分子在不同条件下的激发态振动弛豫、取向弛豫和分子间碰撞传能等超快动力学过程进行了研究，分析得到了这些超快过程与体系温度和溶剂性质之间的关系，同时为进一步研究DNA、蛋白质等生物分子体系的电子转移、质子转移、能量传递以及光致异构化等反应过程打下了基础。

Secondly, femtosecond time-resolved studies using fluorescence depletion spectroscopy were performed on Rhodamine 700 and Oxazine 750 in solutions to study the ultrafast dynamics, such as vibrational relaxation and the energy transfer from the solute to solvent. The orientational relaxation process of these dye molecules have been study in solution by the polariton resolved FS TR SEP FD.

我们利用此技术，对LD700和OX750两种染料分子电子激发态的振动弛豫和溶质与溶剂分子间碰撞传能等超快动力学过程进行了详细地实时研究，获得了它们的激发态分子在不同溶剂和体系温度等实验条件下的飞秒时间分辨荧光亏蚀谱：并首次采用极性分辨的飞秒荧光亏蚀光谱技术研究了溶质的取向弛豫过程。

Contents: A Brief Review of Elementary Quantum Chemistry; An Introduction to Electronic Structure Theory; The Born-Oppenheimer Approximation; Time Evolution of Wavefunctions; Angular Momentum Summary; The Unitary Group Form of the Hamiltonian; Introduction to Hartree-Fock Theory; Permutational Symmetries of Integrals; Notes on Excited Electronic States; The Quantum Harmonic Oscillator; Assigning Symmetries of Vibrational Modes; Notes on Elementary Linear Algebra

内容： 初等量子化学的简评；电子结构理论的介绍；天生奥本海默的接近； Wavefunctions的时间演化；角动量摘要； Hamiltonian的单位的组形式；哈特里-Fock 理论的介绍；积分的Permutational对称性；在令人激动的电子国家上注明；这台量谐波振荡器；分配振动的方式的对称性；在初等线性代数上注明

On the basis of HPLC analytical results, a reaction mechanism between chlorine dioxide and phenol had been proposed. The rate control step in the process of reaction was studied by using ab initio method. Opmital geometry of every species in reaction was caculated by the available gratient optimum software. The result of harmonic vibrational frequencies indicated that phenolate radical was a stable intermediale product.

根据对ClO〓氧化苯酚后的高压液相色谱图，提出了ClO〓与苯酚氧化反应的机理，并对反应机理中的速度控制步骤进行量子化学理论剖析，利用梯度优化软件计算了参加反应物种的平衡几何构型，振动频率分析的结果表明：酚氧自由基是稳定的反应中间体，利用ab initio计算软件计算了参加反应物种的总能量，酚盐负离子中的氧原子电荷密度，布居数和前线轨道。

The stretching and bending vibrational spectrum of a polyatomic molecule XH_3 is calculated in an algebraic model, where the coupling between stretches and bends is described by Fermi resonance terms.

利用代数模型计算多原分子的键振动和弯曲振动谱，键振动和弯曲振动之间的耦合用费米共振项描述，用局域产生算符构造代数哈密顿，计算表明与氨的实验数据有较好的一致

However, therehas yet not been a satisfactory explaination to vibrational spectra of molecules,especially polyatomic molecules. In this thesis, we will give some discussionson this problem.

而人们对其中的分子振动光谱，尤其是多原子分子的振动谱问题还未能做出一个圆满的解释，在本文中我们就将对这一问题做一些讨论。

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％。