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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2018 | /Sc3N@C80 Sc3N@C80_2 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -62.44533274; Eh |
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