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-_SiW12O40__4-_BP86_Acetonitrile_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1570.158581; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Acetonitrile_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -792.723857; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Water_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1570.440958; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Water_TZP_TMA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -793.065028; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Acetonitrile_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -456.395278; eV | |||
 | 30-Oct-2023 | alpha-_SiW12O40__4-_BP86_Water_TZP_Li | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -456.611998; eV | |||
 | 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-_GeW12O40__4-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -435.285193; eV | |||
 | 30-Oct-2023 | _W10O32__4-_BP86_Acetonitrile_TZP_TBA | Jacobs, Jake | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -1478.174852; eV |
Results 1-10 of 271 (Search time: 0.001 seconds).
Discover
Subject