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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(SeO3)2__8_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -665.493545; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__13_BP86_no_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -658.741943; eV | |||
 | 30-Oct-2023 | gamma_-_W18O56(TeO6)__10-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -696.099942; eV | |||
 | 30-Oct-2023 | gamma_-_W18O56(TeO6)__10-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -697.757433; eV | |||
 | 30-Oct-2023 | alpha-_W18O56(WO6)__10-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -612.721070; eV | |||
 | 26-Sep-2023 | WD-PO4-BP86-OPT | Malcolm, Daniel | AMS; 2020.102; r90821 | Geometry optimization | BP86 | - | -716.641903; eV | |||
 | 26-Sep-2023 | WD-PO4-BP86-LFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -704.094840; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1566.718447; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -788.857961; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -459.897953; eV |
Results 101-110 of 141 (Search time: 0.001 seconds).