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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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-K5_PW11Co(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -462.076933; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=_Co(III_II) K6_SiW11Co(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -466.920638; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=_Co(III_II) K5_SiW11Co(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.261599; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K5_AsW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -456.990956; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K6_GeW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.407619; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K7_BW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -472.125380; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K5_SiW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -466.241649; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K6_SiW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -469.700518; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K6_BW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -469.081302; eV |
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