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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_1 1_5 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | - | |||
 | 27-Oct-2017 | /DFT/Pathway_3 3_3_3_plus_product | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -46.67774979; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_1 1_1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -22.57311763; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_1 1_2_BS | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -45.93738049; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_3 3_2_1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -23.31370121; Eh | |||
 | 27-Oct-2017 | /DFT/Water 3_4_1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -46.29931999; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_3 3_2_3 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -46.67163996; Eh | |||
 | 27-Oct-2017 | /DFT/Water 3 | Bandeira, Nuno | ADF; 2016 | Geometry optimization TS | DFT | TZP; DZP | -23.12912893; Eh |
Results 1-8 of 8 (Search time: 0.001 seconds).