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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TMA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -710.117003; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium NH4_3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -515.721025; eV | |||
 | 30-Oct-2023 | /Anionic_Model _B-PW9O34_9- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -396.982598; eV | |||
 | 30-Oct-2023 | /Anionic_Model _A-PW9O34_9- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -397.754001; eV | |||
 | 30-Oct-2023 | /Anionic_Model _PW11O39_7- | Thompson, Jake | AMS; 2020.102; r90821 | Geometry optimization | PBE | - | -452.646556; eV | |||
 | 30-Oct-2023 | /Anionic_Model _PW12O40_3- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -457.363269; 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/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_=_Ru(III_II) SiW11Ru-II-(H2O)O39_6- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -472.435439; 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 |
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