| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374504 | Chemical Physics | 2012 | 8 Pages |
Abstract
⺠Fully relativistic 4c-DFT calculations were performed for M2 and MAu (M = K though element 119). ⺠Trends in atomic and molecular properties are reversed in group 1 from Cs on due to relativity. ⺠The 8s(119) AO stabilization and contraction result in the weakest M-Au bond in group 1. ⺠The weakest adsorption of element 119 on noble metals is expected among all group-1 elements.
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Authors
V. Pershina, A. Borschevsky, J. Anton,