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homos相关的网络例句

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As theπ-conjugated length of bridging ligand increases, the energies of HOMOs and LUMOs, stabilities of dimers and the largest absorption strength increase whereas the ionization potentials decrease. According to the inner reorganization energy and density of states, we presume the hole-transporting properties of these dimers are better than the electron-transporting.

随着桥联配体共轭长度的增加,HOMO和LUMO的能量、配合物的稳定性以及最大阵子强度增大,然而电离势降低;从重组能和态密度的角度来看,我们认为这些分子的空穴传输性能优于电子传输性能。

The results show that the HOMOs were mainly localized on C60, while the LUMOs were mainly localized on the substituents. This indicated that the electrons were easy to transfer from the occupied orbitals of donors to the virtual orbital of the acceptors, i.e.

最后,我们分别运用量子化学半经验AM1和密度泛函B3LYP/6-31G计算方法对目标化合物进行了结构优化,得到了这些分子的稳定几何构型。

Theoretical study on the change of HOMOs and LUMOs gaps illustrates that cubic-like structures are more favorable than others growth modes, namely the cubic zirconia nucleates favorable, this fact accords well with previous experimental results.

对各种生长模式的最高占据轨道能和最低空轨道的能量的差值与团簇的尺寸变化可以发现,氧化锆团簇最容易以类立方结构的生长模式生长,即立方相氧化锆团簇结构容易形核生长,这是符合先前的实验结果的。

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