查询词典 ionization potential

In chapter 3, we systematically explore the conformational potential energy surfaces of aspartic acid in gas phase and calculate the concerned properties including geometry structure, IR spectra, conformer distributions, ionization energies and electron affinities.

在第三章中我们对天冬氨酸气相中的构型势能面进行了系统的探测，并研究了其相关性质，如几何结构、红外光谱、构型分布、电离能和电子亲合能。

With this model, we achieve insight into the ion momentum distribution under the combined influence of a two-center Coulomb potential and an intense laser field, and our result shows the significant influence of molecular alignment on the ratio between double and single ionization rate.

研究中我们考察了双中心库仑势及外加场共同作用下的离子动量分布，计算结果同样给出了分子取向对双电离和单电离比率的影响。

In the process of our analysis,the non-sequential double ionization rate, two-electron ionization energy, two-electron momentum correlation and the combined potential of Coulomb field and laser field are calculated with the molecular internuclear distance changing.

我们分别计算了非时序双电离率、两电子的电离能、两电子的动量相关、库仑场和激光场的复合势随分子核间距的变化关系。

But in our model the electron scatteringpotential, chemical potential and ionization degree are obtained self-consistently,except the ion structure factor.

与Al的实验电阻率结果比较，等离子体的温度低于40eV时，计算结果与实验符合得很好，但温度高于40eV，则低于实验值。

Based on the above experimental results, we proposed that the exciplex formation also depends on the third factor, that is the interaction between the side-groups of donor and acceptor, besides the ionization potential and electron affinty of donor and acceptor.

因此，激基复合物的形成除取决于两个分子的电离能和电子亲合力大小外，还依赖于另一个参数，这就是分子侧基之间的相互作用力。

It was proved that the sensitivity of analytes could be significantly enhanced by adding small amounts of oxalic acid medium with adjusted nebulizer flow-rate gas, especially for the dements with ionization potential between 9 and 11 eV.

结果表明，随着雾化气流速的调节，低浓度乙二酸介质对所分析元素具有增敏效应，尤其是对电离电位在9～11eV的Be、Zn、Se、As、Sb、Hg等高电离电位元素。

The result indicates that the potential-pH equilibrium diagram, solution's practical pH and metal corrosion's measured potential at corresponding temperature must be used when potential-pH equilibrium diagram is used. And also the potential-pH equilibrium diagram in Fe—H〓O system at different temperature is gathered and classified. According to thermodynamics data, the relation equation of water ionization equilibrium constant K〓 and of ammoniac equilibrium constant K〓 to temperature T is respectively derived.

二、高温电位-pH平衡图的应用与高温溶液实际pH值的计算对高温电位-pH平衡图的应用方法和溶液的高温实际pH值进行了分析和计算，指出在用电位—pH图进行分析时，必须使用相应温度下的电位—pH图、该温度下溶液的实际pH值和金属腐蚀电位测量值，并对各种温度下Fe—H〓O体系的电位－pH图进行了收集归类。

Thirdly, electronic properties, such as HOMO and LUMO energies, band gaps, the ionization potential and electron affinity of 2, 7-linked and 3, 6-linked carbazole trimers, two conjugated oligomers with different linkage of carbazole, were studied by the density functional theory with Becke–Lee–Young–Parr composite exchange correlation functional (B3LYP).

第三，采用密度泛函理论在6-31G*基组上分别优化了两种2，7-和3，6-咔唑三聚物的电子结构，如HOMO和LUMO能级，能隙，电离能和电子亲和势。

A number of v=0~57 vibration levels were determined and assigned. The levels cover more than 99% of the potential well depth of the state. No evident autoionization was found related to the levels belonging to the 13 g- state above the ionization threshold, implying the distinct character of the doubly excited valence state from the Rydberg states.

并发现13 g-态能级即使超过电离限时亦无明显的自电离倾向，反映了双电子激发态不同于里德堡态的独特性质。13 g-态是碱金属双原子分子电离限以下唯一的3 g-对称性的态和电离限下唯一较纯的双电子激发态，这些结果为分子结构和量子化学的定量研究提供了重要的信息；（2）通过检测Na 3d 3p原子荧光，观察到Na2分子的33 g和43 g+态在3s+3d解离限以上的预解离能级及其转动线宽加宽等。

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。