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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/Anionic_Model/M=_Co(III_II) SiW11Co-III-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -468.541372; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Co(III_II) SiW11Co-II-(H2O)O39_6- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -472.775346; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) GeW11Mn-III-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -465.106470; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M_=_Fe(III_II) GeW11Fe-II-(H2O)O39_6- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -467.765863; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) BW11Mn-III-(H2O)O39_6- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -475.024176; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) BW11Mn-II-(H2O)O39_7- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -478.670975; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) ZnW11Mn-III-(H2O)O39_7- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -470.037549; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) SiW11Mn-III-(H2O)O39_5- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -471.599188; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Anionic_Model/M=_Mn(III_II) SiW11Mn-II-(H2O)O39_6- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -475.530928; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A-K5_PW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.433543; eV |
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