Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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 | -4.02771758; 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 | |||
 | 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 |
Results 1-10 of 22 (Search time: 0.002 seconds).