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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Oct-2017 | /1V/TS_CC TS_CC | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 23-Oct-2017 | /Subs_Diol/TS_CC TS_CC | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 20-Oct-2017 | /1V/TS-OV TS-OV | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Triplet TS_O2_Triplet | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Singlet TS_O2_Singlet | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 26-Oct-2017 | /Organic_path_a TSa_ | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP | -4.02771758; Eh | |||
 | 26-Oct-2017 | /Path_b TSb | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP; TZP | -29.13979688; Eh | |||
 | 26-Oct-2017 | /Organic_path_b TSb_ | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP | -4.02207163; Eh | |||
 | 26-Oct-2017 | /Organic_path_b TSb | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP | -4.02593799; Eh | |||
 | 26-Oct-2017 | /Path_b TSb_ | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP; TZP | -29.12750256; Eh |
Results 1-10 of 29 (Search time: 0.002 seconds).