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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/Alkali_Metals Na3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -452.434647; eV | |||
 | 30-Oct-2023 | /Anionic_Model _B-PW9O34_9- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -396.982598; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TBA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -1301.176481; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TEA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -906.990844; eV | |||
 | 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 | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Co(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -467.371477; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K5_GeW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -456.758620; eV | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Mn(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -470.168149; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K5_SiW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.137274; eV |
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