查询词典 ionization potential

According to the quasistatic model, the relationship is established between electron residual energy and driven laser polarization, intensity, wavelength, pulse and media ionization potential, residual charges. The electron residual energy change with the driven laser parameters and the media characteristical parameters is calculated. According to the calculated results, adequate driven laser parameters will be favor of the realization of OFI X-ray laser amplification.

作者根据准静态模型，建立了电子剩余能随驱动激光偏振度、激光强度、波长、脉宽以及介质电离能、剩余电荷数关系式，定量计算了电子剩余能随驱动激光参数以及介质本身一些性能参数变化关系，根据计算结果提出采用适合的驱动激光参数可能更有利于实现光场感应电离的X射线激光放大。

After geometric optimizations of the isolated donor and acceptor, the ionization potential of the donor and the electron affinity of the acceptor have been calculated.

通过孤立给体和受体的几何构型优化，计算了给体的电离能和受体的电子亲和能。

The results of electron affinity and ionization potential show that theelectron transfer properties of quinone are enhanced with the enlongation of thesubstituent.

电子亲和势和电离势的研究结果表明，随着醌环上异戊烯支链的增长，醌的电子传递能力有增强的趋势。

The comparison of our calculations the ionization potential (IP and electron affinity for silver clusters with experiments shows that PW91PW91 functional give satisfactory results.

理论计算方面也已经有大量的文献报道了自由Ag原子构成的原子簇和纳米粒子的几何结构，物理性质和电子结构性质。

The electron affinity and ionization potential in La 2C n cluster were calculated.

用B3LYP/Lan1 2dz方法优化了La2 Cn(n =- 1 ，0 ，+1 )分子的结构，计算了La2 C的电子亲和势和离化能，并对计算结果进行了讨论。

The reason is that the energy deposited by heavy ions can directly or indirectly migrate along DNA strands, and can firstly break the bonds of highest electron affinity and lowest ionization potential.

重离子辐照沉积的能量可以直接或间接地沿DNA链迁移，从而使得DNA分子上相对较弱或亲电性较强的化学键优先断裂。

The sensitive sites are just the bonds of highest electron affinity and lowest ionization potential. Formation of the sites results from the interaction between several nearby nucleotides. So, the sensitive sites should be a piece of DNA sequence.

敏感位点即这些相对较弱或亲电性较强的化学键，而这种化学键的产生是与敏感位点邻近的几个核苷酸相互作用的结果，即敏感位点应该是一段DNA序列。

The non-relativistic energies and wave functions were determined by Rayleigh-Ritz method. The relativistic effects, including the correction to kinetic energy, the electron-electron contact term, and the orbit-orbit interaction, Darwin term, and mass-polarization effect on the energies were calculated by using first-order perturbation theory. In order to obtain a more accurate result for the larger Z system, the quantum-electrodynamics correction should be included. This correction to energy can be evaluated for the valence electron by using a hydrogenic formula with an effective nuclear charge, Z. The ionization potential, the excitation energies and the fine structure split-tings for a lithium-like ion with higher nuclear charge (Z=26) were calculated.

非相对论能量用Rayleigh-Ritz变分法确定，包括动能修正、电子—电子接触项、轨道—轨道相互作用项以及Darwin项的相对论修正和质量极化项由全实加关联波函数的一阶微扰给出，量子电动力学修正由有效核电荷方法和类氢公式计算；给出了较高核电荷(Z=26)类锂体系1s^2nl组态的电离能、激发能和1s^2np组态的精细结构劈裂。

Based on an amendment of ionization potential in hydrogen-like ions in terms of the theory of relativity and interaction of electron spin-orbit, we take into account the effect of the nuclear volume and the nuclear mass for the ionization potential.

在类氢离子电子束缚能一级相对论及电子自旋－轨道作用修正的基础上，考虑到原子核的质量效应及体积效应，计算了类氢离子的电离能，计算结果与文献提供的实验数据相符合，弥补了其他方法的不足。

It was found that the formal potential of indophenols has a good relation with two-center electron exchange energy,Eex(2),resonance energy of O-C bond,Eex(C1-O),and molecular ionization potential,Ip,among 19 moleclular structural parameters.

研究发现，在所选择的19个分子结构参数中，双中心电子交换能Eex(2/eV，O－C键的共振能Er(C1－O/eV和分子的电离势与其式电位有较好的相关性。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。