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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-_W18O56(WO6)__10-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -711.684994; eV | ||||
30-Oct-2023 | alpha-_W18O56(WO6)__10-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -713.362630; eV | ||||
30-Oct-2023 | gamma_-_W18O56(WO6)__10-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -613.039451; eV |
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