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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/Water TS3_3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -46.26625739; Eh | |||
 | 27-Oct-2017 | /DFT/Methanol TS3_1 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.68372069; Eh | |||
 | 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_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/Pathway_3 TS3_3_4 | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -23.43900619; 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 | |||
 | 27-Oct-2017 | /DFT/Pathway_1 TS1_3_BS | Bandeira, Nuno | ADF; 2016 | TS | DFT | TZP; DZP | -45.91479900; Eh |
Results 1-10 of 29 (Search time: 0.001 seconds).