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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -700.883724; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -701.189571; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1478.773875; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1474.885026; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.442039; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -696.937948; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.596621; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_no_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -363.209553; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -919.099894; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -919.775239; eV |
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