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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-_GeW12O40__4-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -538.751055; eV | ||||
30-Oct-2023 | alpha-_W18O54(PO4)2__6-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -850.801749; eV | ||||
30-Oct-2023 | alpha-_W18O54(PO4)2__6-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -851.487059; eV | ||||
30-Oct-2023 | _W18O54(SO3)2__4-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -813.458413; eV | ||||
30-Oct-2023 | _W18O54(SO3)2__4-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -813.972745; eV | ||||
30-Oct-2023 | alpha-_PW12O40__3-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -545.758151; eV | ||||
30-Oct-2023 | alpha-_W18O54(SeO3)2__6_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -791.649129; eV | ||||
30-Oct-2023 | _W6O19__2-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -260.461379; eV | ||||
30-Oct-2023 | gamma_-_W18O56(TeO6)__10-_B3LYP_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -741.385814; eV | ||||
30-Oct-2023 | _Mo18O54(SO3)2__4-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -787.624381; eV |
Results 1-10 of 35 (Search time: 0.001 seconds).