Cluster quantum-chemical study of the ch
โ
N.U. Zhanpeisov; G.M. Zhidomirov; M. Baerns
๐
Article
๐
1995
๐
Elsevier Science
๐
English
โ 483 KB
A quantum-chemical study based on a supermolecularapproach and using a modified MIND0/3 method was applied to study the interactions of methane (a) with a ZnO surface containing structural defects i.e., low-coordinated ZnG and 0:; ions and (b) with dioxygen preadsorbed on various oxygen vacancies of