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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Acetonitrile_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -2367.783649; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Acetonitrile_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1203.389697; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Acetonitrile_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -698.507997; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -850.801749; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -703.659453; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -851.487059; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -704.290093; eV | |||
 | 30-Oct-2023 | _W18O54(SO3)2__4-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -879.985713; eV | |||
 | 30-Oct-2023 | _W18O54(SO3)2__4-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -880.469165; eV | |||
 | 30-Oct-2023 | _W18O54(SO3)2__4-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -813.458413; eV |
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