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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(PO4)2__6-_BP86_Water_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1203.940138; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -2363.904497; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -760.951886; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -698.797975; eV | |||
 | 30-Oct-2023 | _Mo18O54(SO3)2__4-_B3LYP_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -787.624381; eV | |||
 | 30-Oct-2023 | _Mo18O54(SO3)2__4-_B3LYP_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -788.099690; eV | |||
 | 30-Oct-2023 | _Mo18O54(SO3)2__4-_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -633.794162; eV |
Results 151-157 of 157 (Search time: 0.001 seconds).