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-_GeW12O40__4-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -583.536718; 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 | _W18O54(SO3)2__4-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -879.985713; eV | ||||
30-Oct-2023 | _W18O54(SO3)2__4-_PBE0_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -880.469165; eV | ||||
30-Oct-2023 | alpha-_PW12O40__3-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -590.549465; eV | ||||
30-Oct-2023 | alpha-_W18O54(SeO3)2__5_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -857.846938; eV | ||||
30-Oct-2023 | _W6O19__2-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -281.916987; eV | ||||
30-Oct-2023 | gamma_-_W18O56(TeO6)__10-_PBE0_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -807.867035; eV | ||||
30-Oct-2023 | _Mo18O54(SO3)2__4-_PBE0_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -855.292153; eV |
Results 1-10 of 33 (Search time: 0.002 seconds).
Discover
Program name
- 33 AMS