Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__7_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -665.991920; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__4_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -650.111456; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__22_BP86_Acetonitrile_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1775.884221; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(SeO3)2__21_BP86_Acetonitrile_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -998.488838; eV | |||
 | 30-Oct-2023 | beta_-_W18O56(IO6)__9-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -607.402305; eV | |||
 | 30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Water_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -2368.776936; eV | |||
 | 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 |
Results 131-140 of 141 (Search time: 0.003 seconds).