过渡金属
过渡(遗传学)
材料科学
重金属
休息(音乐)
化学物理
化学
催化作用
物理
环境化学
有机化学
声学
生物化学
基因
作者
D. E. Arce,Alberto Sanz de León,M. C. Acosta-Enríquez,S. J. Castillo,Luis Hernández Encinas,S Rosales
摘要
The interesting applications of ultrathin silica films on transition metals drove us to analyze the interactions between them. We selected only sixteen transition metals to observe a pattern and started at a molecular level to understand the principal interactions involved between them. A conformational search and a subsequent optimization of the structures, together with frequency calculations at the MP2/LANL2DZ level of theory for the metals and MP2/6-31G* for the rest of the atoms. The results show that the interactions are favorable with the transition metals we selected.
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