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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2017 | /Organic_path_a TSa | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP | -4.02814516; Eh | |||
 | 26-Oct-2017 | /Path_a TSa | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP; TZP | -29.14261068; Eh | |||
 | 26-Oct-2017 | /Path_a TSa_ | Bandeira, Nuno | ADF; 2013; 01 | TS | DFT | DZP; TZP | -29.12969084; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_1 TS1_3_BS | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -45.91479900; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_2 TS2_1_spin_restricted | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.64045235; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_2 TS2_1_BS | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.64052834; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_2 TS2_1a | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.63132693; Eh | |||
 | 6-Nov-2017 | /Subs_Diol/TS-OV TS-OV-2 | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 27-Oct-2017 | /DFT/Pathway_3 TS3_3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.63839251; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_3 TS3_3_4 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.43900619; Eh |
Results 11-20 of 29 (Search time: 0.002 seconds).