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 | _W10O32__4-_BP86_Water_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1478.773875; eV | ||||
30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1474.885026; eV | ||||
30-Oct-2023 | _W10O32__4-_BP86_no_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -696.937948; eV | ||||
30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.442039; eV | ||||
30-Oct-2023 | _W10O32__4-_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -364.596621; eV | ||||
30-Oct-2023 | _W10O32__4-_BP86_no_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -363.209553; eV | ||||
30-Oct-2023 | alpha-_W18O54(SeO3)2__16_BP86_Water_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1776.479041; eV | ||||
30-Oct-2023 | alpha-_W18O54(SeO3)2__15_BP86_no_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1770.526268; eV | ||||
30-Oct-2023 | alpha-_W18O54(SeO3)2__17_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -661.270683; eV | ||||
30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_Acetonitrile_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -703.659453; eV |
Results 81-90 of 248 (Search time: 0.002 seconds).
Discover
Subject
Calculation type