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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2023 | /Potassium_Countercations K28P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2145.284556; 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 | |||
 | 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-SeO3-PBE-AltOPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -683.576504; eV | |||
 | 26-Jun-2023 | /Non-Potassium_Countercations Ca8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2144.694211; eV | |||
 | 23-Jun-2023 | /Potassium_Countercations K4P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2141.091509; eV | |||
 | 23-Jun-2023 | /Potassium_Countercations K8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -2144.870944; eV | |||
 | 23-Jun-2023 | /Potassium_Countercations KP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -565.043264; eV | |||
 | 26-Jun-2023 | /Non-Potassium_Countercations Li8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2153.739695; eV |
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