The total energy, atomic charges and condensed population of atoms of H Mo 7O - , [(MoO )(MoO ) x - ] + ( x =, , ), (NH ) Mo O , H 8Mo 8O 0 - etc.
The total energy, atomic charges and condensed population of atoms of H Mo 7O - , [(MoO )(MoO ) x - ] + ( x =, , ), (NH ) Mo O , H 8Mo 8O 0 - etc.
利用量子化学计算方法在HF/ G和STO G水平上计算了钼酸铵结晶过程涉及到的H Mo7O - ,[(MoO ) (MoO ) x - ] + (x =, , ) , (NH ) Mo O ,H8Mo8O 0 - 等的总能量、原子净电荷和集居数。