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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2023 | /Hexalacunary_Frameworks P2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -565.170885; eV | |||
 | 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 | /Non-Potassium_Countercations Mg8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2129.081861; 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 | /Hexalacunary_Frameworks As2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -556.028095; 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 CsP2W12-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -564.477921; eV | |||
 | 23-Jun-2023 | /Non-Potassium_Countercations Be8P8W48-PBE-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -2138.683742; eV |
Results 11-20 of 36 (Search time: 0.002 seconds).