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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jun-2023 | /Anionic_Model _PW11Ru(H2O)O39_4- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -462.737522; eV | ||||
21-Jun-2023 | /Anionic_Model _PW11Mn(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -470.168149; eV |
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