The stable structures of metal oxide clusters were obtained using a modified dynamic lattice searching (DLS) method with a classic rigid-ion model. Due to the important effect of the electrostatic charge force on the structure of metal oxide clusters, the clusters with various formal charges of metal (q), i.e., (M⁺²O)_n, (M₃^+2.67O₄)_n, (M₂⁺³O₃)_n, (M⁺⁴O₂)_n, (M₂⁺⁵O₅)_n and (M⁺⁶O₃)_n, were investigated. Results showed that (MO)_n clusters preferred to form highly coordinated structures, and (M₃O₄)_n clusters generally adopt cage-based structures. When q value was larger, the lowest energy clusters tended to form some compact structures with one or two dangling MO bonds, even more. Finally, the relationship between the number of MO bond and the q values were discussed.

使用具有经典刚性离子模型的改进动态晶格搜索（DLS）方法获得金属氧化物簇的稳定结构。由于静电电荷力对金属氧化物簇的结构具有重要影响，因此具有各种形式金属电荷（q）的簇即（M ⁺² O）_n，（M ₃ ^+2.67 O ₄）_n， （M ₂ ⁺³ O ₃）_n，（M ⁺⁴ O ₂）_n，（M ₂ ⁺⁵ O ₅）_n和（M ⁺⁶ O ₃）_n，进行了调查。结果表明（MO）_n团簇倾向于形成高度协调的结构，而（M ₃ O ₄）_n团簇通常采用基于笼的结构。当q值较大时，最低的能量簇倾向于形成具有一个或两个悬挂的M O键甚至更多的紧凑结构。最后，讨论了M O键数与q值之间的关系。