imaginary frequency的例句大全

The number of imaginary frequency was utilized to confirm whether the species is a local minimum or a transition state, and the population analysis was used to enucleate the reaction mechanism.

我们用虚频的数目（0或1）来判断物种是稳定构型还是过渡态，并用电子布居分析来阐明反应过程。

The vibrational mode analysis shows that the reaction mechanism is reliable. When using vibrational mode analysis to elucidate the mechanism, we find that the only imaginary frequency of a transition state is always related to the breaking or forming bond.

在进行振动模式分析的过程中我们发现，过渡态的唯一虚频总是与被拉长的、即将断裂或新形成的键有关。

For all optimized configurations, there is no imaginary frequency in vibrational analysis. On this basis, the electronic spectra have been calculated by CIS method.

对各化合物优化后的构型作振动分析，均未出现虚频率，在此基础上，采用CIS方法计算电子光谱，并给出了3种化合物电子光谱的波长与CIS组态数之间的关系。

The equilibrium states and the transition state have been verified according to the number of imaginary frequency through vibrational analysis.

通过振动分析对平衡态和过渡态进行了验证，并得到了零点能。

it also gives the relation between imaginary time frequency and radiate temperature. it is pointed that the imaginary time periodicity of coordinate transformation causes the hawking radiation.

证明坐标变换的虚时频率与辐射温度的关系，认为坐标变换的虚时周期性是产生Hawking辐射的根本原因。

Due to the waves emitted by perturbed black holes there are no normal mode oscillations but instead of quasi-normal mode ( QNM) frequencies, with the real part representing the actual frequency of the oscillation and the imaginary part representing the damping.

由于波被扰动黑洞散射，使得不存在正规模振荡方式，取而代之的是似正规模，其频率的实数部分表示振荡的频率，虚数部分表示衰减的快慢。

the frequency response curve of the imaginary part of human brain's complex impedance was different from that of other animal tissues ( such as muscles, the liver and kidney) but was in accordance with that of rabbit brain tissues in vitro.

人脑组织复电阻抗虚部绝对值的频率特性曲线同已知的其他动物组织（肌肉、肝、肾等）的复电阻抗虚部频率特性相比不同，但与离体家兔脑组织的曲线一致。

A minimum of the imaginary part of the dielectric constant was observed at lower frequencies from the frequency dependence of the dielectric constant, this implies the existence of imperfections and space-charge polarization in the crystals.

介电系数的频率特性显示，介电系数虚部在较低频率时呈现极小值，这表明晶体中存在缺陷和空间电荷极化。

The imaginary vibrational frequency analysis of reactant, products, catalysts, all the products transition sates and intermediates is performed.

对反应物、催化剂、所有过渡态、中间体和产物进行了频率分析。

Imaginary Time Frequency of Coordinate Transformation and Temperature Radiation

坐标变换的虚时频率与辐射温度