查询词典 ionization potential

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。

Ionization potential: Amount of energy required to remove an electron from an isolated atom or molecule.

电离电势：从孤立原子或分子中移去一个电子所需要的能量。

The concept of mean ionization potential of crystal is proposed, and the of Oxide Superconduetors is investigated in this paper.

本文提出了平均电离势的概念，并对氧化物超导体的平均电离势进行了研究。

The first ionizationpotential and second ionization potential have beendetermined as 〓 and 〓〓,respectively.

从Rydberg系列的能级值，确定的第一电离势和第二电离势的值分别为〓和〓。

I had a lovely dog named PiPi, he was one of my best friends.

我曾经有过一只小狗，它的名字叫皮皮，它很善良，它是我最忠实的朋友。

Newly ovulated mouse oocytes were cultured in the CZB medium supplemented with different concentrations of pyruvate before treated for activation or assayed for MPF activity.

我们猜测卵母细胞在不含丙酮酸的条件下老化的更快，并且卵丘细胞可能通过消耗不含葡萄糖的CZB中的丙酮酸从而促进卵母细胞老化。