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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K6_GeW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -460.336497; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M_=_Ru(III_II) GeW11Ru-III-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -462.079526; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M_=_Ru(III_II) SiW11Ru-III-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -468.447920; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M_=_Fe(III_II) AsW11Fe-II-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -462.229975; 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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