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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Sep-2023 | /Me_radical_addn/2iodomxylene 2iodomxylene | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15L | DEF2SVP | -606.421907294; Eh | ||||
2-Sep-2023 | /P_radicals/PCy3/PhPCy3-cat PhPCy3-cat | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15L | DEF2SVP | -1276.69750846; Eh | ||||
2-Sep-2023 | /P_radicals/dippf/dippf dippf | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15L | DEF2SVP | -2804.31692940; Eh |
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- 13 Cross-coupling
- 13 Radicals
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- 13 Gaussian