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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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- 37 alkylation
- 37 C-C activation
- 37 C-H activation
- 37 Copper
- 37 isoquinolone
- 37 Ru
- 37 transition metal