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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Mar-2018 | C1a | Ortuño, Manuel | vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex | N/A | N/A | - | -981.33000607; eV | ||||
26-Mar-2018 | C1 | Ortuño, Manuel | vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex | N/A | N/A | - | -981.56532956; eV | ||||
26-Mar-2018 | C1b | Ortuño, Manuel | vasp; 5.3.5; 31Mar14 (build May 25 2015 11:37:25) complex | N/A | N/A | - | -981.36401850; eV |
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