查询词典 vibronic

The crvstalline of doped PPVs was destroyed via WAXD analysis, which demonstrated the crystalline have no relationship with the PL intensity and vibronic structure.

从PL光谱和UV-Vis光谱都可以看到聚醚掺杂PPV有明显的振动结构，且发光强度和谱峰形状受热转化温度的影响小。

By considering channel characters and thermal distribution of the rotational levels, experimentally determined absolute photoabsorption spectrum of molecular hydrogen have been analysed: these vibronic oscillator strengths in the region of 11.0―15.0 eV are determined, the total photodissociation of B′1Σ+u is also obtained.

利用通道规律，并考虑了转动分布对跃迁峰型的影响，对测量得到的绝对氢分子光吸收谱进行了分析。文中逐个确定了11.0―15.0 eV各振动态的振子强度，并得到了B′1Σ+u的解离强度。

The analyses results show this long wavelength emission peak should be attribued not to the emission from aggregators or excimers in films but to the vibronic transition from S1 excited state to S0 ground state.

在对其采用曲线拟合的基础上，进一步对薄膜样品的带隙下激发谱和选择激发荧光谱进行了分析，从实验上论证了长波段的发射峰来自于激发态S1到基态S0的振转跃迁，排除了薄膜聚集体和激基缔合物发光的可能性。

Based on the analysis of the Jahn-Teller effect,vibronic interaction and the resolution of group representations, the possiblegcometrical configurations of 〓 have been derived for the first time, the results arein good agreement with the calculation esults.Firstly, the reasonable dissociative limits for the diatomic molecules of ZrCo,ZrH, CoH, UH,〓 and AlNi have been derived based on the Atomic and MolecularReactive Statics and the resolution of group representations. The groundelectronic states, which are 〓,〓,〓 and 〓 respectively for thesemolecules, have also been optimized based on the RECP method.

本文根据相对论有效原子实势和密度泛函理论方法(B3LYP／SDD与B3LYP／6-311G〓)，用Gaussian-98W程序研究了ZrCo、ZrH、CoH、UH、〓、AlNi、〓、HZrCo和〓分子的分子结构、分析势能函数、微观力学性质和光谱性质；首次建立了计算固体金属氢化物体系宏观性质理论模型，并应用于ZrCo、Zr和Co的氢化反应体系研究，理论计算与实验结果基本一致；基于Monte-Carlo准经典轨线方法，首次研究了H与ZrCo和Co与HZr的分子反应动力学。

The equilibrium geometry,force constants and vibronic frequencies of the SiO2 molecule with linear structure have been optimized by using the Gaussian03 with B3P86/cc-PVTZ; The total internal partition sums were calculated for silicon dioxide with the product approximation. For rotational partition sums Qrot, the centrifugal distortion corrections are under consideration.

应用Gaussian03程序，在B3P86/cc-PVTZ水平上，对二氧化硅分子线性结构进行优化计算，得出其平衡几何构型、力常数和谐振频率等性质参数；采用乘积近似法构建模型计算了二氧化硅分子从20-6000K的总配分函数，其中转动配分函数考虑了离心扭曲修正，振动配分函数采用谐振子近似。

In the negative and interrogative forms, of course, this is identical to the non-emphatic forms.

。但是，在否定句或疑问句里，这种带有"do"的方法表达的效果却没有什么强调的意思。

Go down on one's knees;kneel down

屈膝跪下。。。下跪祈祷