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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Profile_2 step_G | Bandeira, Nuno | ADF; 2017 | DFT | TZP; DZP; SZ | -31.98485862; Eh | ||
 | /Profile_2 TS_G | Bandeira, Nuno | ADF; 2017 | DFT | TZP; DZP; SZ | -31.92718813; Eh | ||
 | /Profile_2 step_H | Bandeira, Nuno | ADF; 2017 | DFT | TZP; DZP; SZ | -31.93808950; Eh | ||
 | /Profile_2 TS_H | Bandeira, Nuno | ADF; 2017 | DFT | TZP; DZP; SZ | -31.91542946; Eh | ||
 | /Profile_2 step_I | Bandeira, Nuno | ADF; 2017 | DFT | TZP; DZP; SZ | -31.99231928; Eh |
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