child parent fixation

The calculated adiabatic electron affinity and ionization potential were 81.

计算得到该团簇的绝热电子亲和势为 81 0 5kJ/mol,离化能为 62 8 88kJ/mol。

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。

Coevaporation of Sb+Cs decreases the electron affinity of photocathode so as to obtain.

研究结果表明，Ｎａ２ＫＳｂ材料在制备过程中一直是一种稳定的ｐ型半导体，随着Ｎａ２ＫＳｂ膜层厚度的增加，其峰值响应波长向长波方向移动，白光灵敏度也相应提高；锑、铯交替降低了Ｎａ２ＫＳｂ的电子亲和势，延伸了光谱响应的长波阈值；锑、铯交替的表面处理是最终获得高灵敏度多碱阴极的关键。

Study on structures and electron affinities of the C_nH_(2n+1)O_2·/C_nH_(2n+1)O_2~-(n=1～4) with density functional theory;

C_nH_(2n+1)O_2·/C_nH_(2n+1)O_2~-(n=1～4)的结构和电子亲合能的密度泛函理论研究

Four different density functional theory (DFT) methods (B3LYP, B3P86, BLYP, and BP86) have been employed to predict the molecular structures and adiabatic electron affinities of the SinH/SinH- (n=3~8) species.

选用四种不同的密度泛函理论方法(B3LYP,B3P86,BLYP,BP86),在全电子的双ζ加极化加弥散函数基组(DZP++)下,对SinH/SinH-(n=3~8)体系进行研究,获得它们的基态结构和电子亲合能。