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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Oct-2017 | /DFT/Pathway_2 TS2_1b | Bandeira, Nuno | ADF; 2016 | Single point TS | DFT | TZP; DZP | - | ||||
27-Oct-2017 | /DFT/Pathway_3 TS3_3_2 | Bandeira, Nuno | ADF; 2016 | Single point TS | DFT | TZP; DZP | - | ||||
27-Oct-2017 | /DFT/Pathway_2 2_S=1 | Bandeira, Nuno | ADF; 2016 | Single point TS | DFT | TZP; DZP | - |
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