valence-charge method 中文意思是什麼
valence-charge method
解釋
價電荷法-
The vibrations of ru - terminal ligands q - mode and intra - bridged ligand 6a mode as well as their combination in the mixed valence taube ion are studied by using density functional theory method under the borh - oppenheimer approximation. it is found that these three vibrations all are harmonic vibrations. and q - vibration causes the charges on ru1 and ru2 atoms to be asymmetrical distribution. the charge transfer between ru and terminal nh
在borh - oppenheimer近似下,應用量子化學的密度泛函理論方法研究了混合價taube離子中金屬與配體之間的振動q -振動模式橋配體內的振動6a振動模式以及這兩種振動的組合。發現這三種振動模式都可以看成簡諧振動。
分享友人