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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2017 | /M06-2X TS1_bis | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | LanL2DZ; 6-311G** | -1422.83475418; Eh | |||
| 18-Apr-2017 | /M06-2X Na | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -162.149036826; Eh | |||
| 18-Apr-2017 | /M06-2X TS3_mono | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | LanL2DZ; 6-311G** | -1155.21478182; Eh | |||
| 18-Apr-2017 | /M06-2X TS_form_adduct | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311G** | -1055.75535495; Eh |
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- 14 Aryl
- 14 borilation
- 14 Cross-coupling
- 14 Nickel
- 14 Reaction mechanisms