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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2023 | cyclopropanol | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVPP | -423.372792869; Eh |
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Subject
- 19 alkylation
- 19 C-C activation
- 19 C-H activation
- 19 Copper
- 19 isoquinolone
- 19 Ru
- 19 transition metal
Program name
- 21 Gaussian