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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Oct-2017 | /Path_b HC2COOH | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization Minimum | DFT | DZP | -1.65410198; Eh |
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