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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2019 | /Profile_1 step_B | Bandeira, Nuno | ADF; 2017 | Geometry optimization TS | DFT | TZP; DZP; SZ | -34.78387269; Eh |
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