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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2023 | _W18O54(SO3)2__4-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -670.778001; eV | |||
 | 30-Oct-2023 | _W18O54(SO3)2__4-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -813.972745; eV | |||
 | 30-Oct-2023 | _W18O54(SO3)2__4-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -671.200048; eV | |||
 | 30-Oct-2023 | alpha-_PW12O40__3-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -590.549465; eV | |||
 | 30-Oct-2023 | alpha-_GeW12O40__4-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -453.382480; eV | |||
 | 30-Oct-2023 | alpha-_PW12O40__3-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1283.979494; eV | |||
 | 30-Oct-2023 | alpha-_PW12O40__3-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -700.212139; eV | |||
 | 30-Oct-2023 | alpha-_GeW12O40__4-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -453.745908; eV | |||
 | 30-Oct-2023 | alpha-_PW12O40__3-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -453.857699; eV | |||
 | 30-Oct-2023 | alpha-_PW12O40__3-_BP86_no_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -449.716042; eV |
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