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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Sep-2018 | /2_electrons/Tafel_mechanism/Mo2O2S6H2 TS | Bandeira, Nuno | ADF; 2017 | TS | DFT | TZ2P | -2.82757390; Eh | ||||
19-Sep-2018 | /2_electrons/Heyrovsky_best_candidate TS | Bandeira, Nuno | ADF; 2017 | TS | DFT | TZP | -3.89941155; Eh | ||||
19-Sep-2018 | /2_electrons/Tafel_mechanism/W2O2S8H2 TS | Bandeira, Nuno | ADF; 2017 | TS | DFT | TZ2P | -3.20989457; Eh | ||||
19-Sep-2018 | /2_electrons/Tafel_mechanism/Mo2O2S8H2 TS | Bandeira, Nuno | ADF; 2017 | TS | DFT | TZ2P | -3.12966423; Eh |
Results 1-4 of 4 (Search time: 0.001 seconds).