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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 _PW11Co(H2O)O39_4- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -462.700539; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A,D-K4_PW11Co(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -458.147662; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A,D-K4_PW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -458.126029; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A,D-K4_PW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -459.773889; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A-K5_PW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -461.783577; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A-K5_PW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.433543; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A-K5_PW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -464.882371; eV | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Fe(H2O)O39_4- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -464.363210; eV | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Co(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -467.371477; eV | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Ru(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -467.007052; eV |
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