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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_3 TS3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.29046358; Eh | |||
 | 27-Oct-2017 | /DFT/Water TS3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.09350798; Eh | |||
 | 27-Oct-2017 | /DFT/Methanol TS3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.68372069; Eh | |||
 | 27-Oct-2017 | /DFT/Water TS3_3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.26625739; Eh | |||
 | 18-Oct-2017 | /2V/TS_CC_V2/Opt Opt | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 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 21-29 of 29 (Search time: 0.002 seconds).