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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__15_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1770.526268; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__17_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -661.270683; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -919.099894; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -919.775239; 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-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -704.290093; 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 | |||
 | 30-Oct-2023 | alpha-_W18O56(WO6)__10-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -926.500882; 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-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -711.684994; eV |
Results 21-30 of 157 (Search time: 0.001 seconds).