vibrational structure的例句大全

the analysis of vibrational structure of the electronic spectra of diatomic molecules

双原子分子电子光谱的振动结构分析

studies on vibrational structure of diatomic molecular states

双原子分子体系的振动结构研究

the anharmonic effect of temperature on phonon frequency, line width, vibrational amplitude and structure factor of atoms for the low index surface of ag were studied by molecular dynamics simulation and the analytic embedded atom method.

应用分子动力学，结合分析型嵌入原子模型研究了Ag低指数面的声子频率、声子线宽度、原子振动振幅和层结构因子随温度的变化关系。

we study nonlinear vibrational localized modes in one dimensional diatomic chain with different masses and alternating force constants between nearest neighbors by numerical calculation. this model simulates a row of atoms in the 〈 111 〉 direction of a sphalerite structure crystal.

利用数值计算研究近邻原子质量和作用力常数均不同的一维链中的非线性局域模，该模型模拟闪锌矿结构晶体中〈111〉方向一列原子的非线性振动。

dft study of molecular structure and vibrational spectrum of strychnine

马钱子碱分子结构和振动光谱的密度泛函理论研究

Atomistic Simulation on the Structure and Vibrational Properties of Intermetallic Compounds

金属间化合物晶体结构和振动性质的原子级模拟

Moreover vibrational frequency analysis of the most stable structure is studied, and the characteristic of vibrational spectrum is also given.

此外，在B3LYP/631G水平上对最稳定的二聚体C2v（C36）2结构作了振动频率分析，并对振动光谱特征进行了讨论。

The geometrical structure of the doubly negative charged closo boron hydride B 15 H 2-15 ( D 3h) was optimized at the HF/ 6-31G level, and its energies and normal mode vibrational frequencies were computed at the same level by using abinitio molecular theory.

利用量子化学从头算方法在HF／6－31G水平上，优化计算了带两个负电荷的封闭型硼烷B15H2－15（D3h）的结构，能量和正则振动频率。

The results indicate that effects of spin multiplicity on atomic structure of titanium trimer are remarkable, especially for bond distances and vibrational frequencies.

发现自旋多重度对钛三聚体的原子结构有重要的影响，特别是对键长和振动频率。