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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Sep-2023 | WD-PO4-B3LYP-LFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -851.197642; eV | |||
 | 26-Sep-2023 | WD-PO4-B3LYP-D-OPT | Malcolm, Daniel | AMS; 2020.102; r90821 | Geometry optimization | B3LYP | - | -796.883523; eV | |||
 | 26-Sep-2023 | WD-PO4-B3LYP-SFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -864.330517; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -543.553946; eV | |||
 | 30-Oct-2023 | alpha-_W18O56(WO6)__10-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -857.239778; eV | |||
 | 30-Oct-2023 | alpha-_W18O56(WO6)__10-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -858.925616; eV | |||
 | 30-Oct-2023 | alpha-_W18O56(WO6)__10-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -758.443006; eV | |||
 | 30-Oct-2023 | gamma_-_W18O56(WO6)__10-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -758.839219; eV | |||
 | 30-Oct-2023 | _W10O32__4-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -429.761013; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__12_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -807.171203; eV |
Results 1-10 of 35 (Search time: 0.002 seconds).