AP13

Matulis V.E., Palagin D.M., Mazheika A.S., Ivashkevich O.A.
DFT study of anionic copper clusters: comparison with silver and sodium ones.

Belarus / Белоруссия

Previously unknown structures of Cu⁻₁₁₋₁₃ have been assigned using recently developed S2LYP functional. The assigned structures have been compared with those of anionic silver and sodium clusters. It has been found that the most stable Cu⁻₁₁ and Cu⁻₁₂ clusters have very similar geometries to anionic silver and sodium ones. The structure of Cu⁻₁₃ cluster is considerably distorted in comparison with the structure of Na⁻₁₃.