Showing results 1 to 20 of 261
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 H2O | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 H3O | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 H4O2 | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 H5O2 | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O04-0H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O04-1H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O04-2H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O06-6H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O06-7H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo01O06-8H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O07-0H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O07-1H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O07-2H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O10-6H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O10-7H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo02O10-8H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo03O10-0H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo03O10-1H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo03O10-2H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
 | 26-Feb-2025 | /single_point_recalculations_Eel/T125 Mo03O14-6H | Junkers, Laura S. | ADF; 2019 | Single point | PBE | TZP | - | | | |
