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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2023 | /Tungsten-48_Frameworks Se8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -2012.461509; eV | |||
 | 23-Jun-2023 | /Tungsten-48_Frameworks As8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2105.262684; eV | |||
 | 23-Jun-2023 | /Tungsten-48_Frameworks P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -2141.735274; eV | |||
 | 26-Jun-2023 | /Wells-Dawson_Structures WD-SeO3-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -682.744524; eV | |||
 | 26-Jun-2023 | /Wells-Dawson_Structures WD-AsO4-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -712.172729; eV | |||
 | 26-Jun-2023 | /Non-Potassium_Countercations Rb8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2145.024153; eV | |||
 | 26-Jun-2023 | /Non-Potassium_Countercations Na8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2147.209928; eV | |||
 | 23-Jun-2023 | /Non-Potassium_Countercations CaP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -564.510248; eV | |||
 | 23-Jun-2023 | /Non-Potassium_Countercations FeP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -562.600204; eV | |||
 | 23-Jun-2023 | /Non-Potassium_Countercations LiP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -566.086736; eV |
Results 21-30 of 36 (Search time: 0.001 seconds).