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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Dec-2017 | s-4-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -699.27789392; eV | ||||
20-Dec-2017 | s-2-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -698.93322795; eV | ||||
20-Dec-2017 | s-3-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -706.61444821; eV | ||||
20-Dec-2017 | d-4-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -692.42588641; eV | ||||
20-Dec-2017 | s-11-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -708.05444437; eV | ||||
20-Dec-2017 | s-1-Transition | Scharfe, Matthias | vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex | Frequencies | - | - | -698.64506108; eV |
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