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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-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -465.468158; eV | ||||
30-Oct-2023 | beta_-_W18O56(IO6)__9-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -898.291033; eV | ||||
30-Oct-2023 | beta_-_W18O56(IO6)__9-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -899.671769; eV | ||||
30-Oct-2023 | alpha-_W18O54(PO4)2__6-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -883.894863; eV | ||||
30-Oct-2023 | gamma_-_W18O56(WO6)__10-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -925.035114; eV | ||||
30-Oct-2023 | gamma_-_W18O56(WO6)__10-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -926.762189; eV | ||||
30-Oct-2023 | _Mo18O54(SO3)2__4-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -839.705877; eV | ||||
30-Oct-2023 | alpha-_AsW12O40__3-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -585.421482; eV | ||||
30-Oct-2023 | beta_-_W18O56(IO6)__9-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -817.829102; eV | ||||
30-Oct-2023 | alpha-_W18O56(WO6)__10-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -924.785946; eV |
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