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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 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 Mg8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2129.081861; 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 | /Non-Potassium_Countercations NaP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -564.961385; eV | |||
 | 23-Jun-2023 | /Non-Potassium_Countercations RbP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -564.501649; eV | |||
 | 23-Jun-2023 | /Hexalacunary_Frameworks Alt-Se2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -530.836397; eV | |||
 | 23-Jun-2023 | /Wells-Dawson_Structures WD-PO4-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -721.092291; eV | |||
 | 23-Jun-2023 | /Hexalacunary_Frameworks Se2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -532.145997; eV | |||
 | 23-Jun-2023 | /Hexalacunary_Frameworks P2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -565.170885; eV |
Results 11-20 of 36 (Search time: 0.001 seconds).