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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Oct-2022 | /template-1/ts2 ts2_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3126.53680312; Eh | ||||
5-Oct-2022 | /template-1/ts2 ts2_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.54014682; Eh | ||||
5-Oct-2022 | /template-1/ts2 ts2_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3126.53050049; Eh |
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- 133 C-H activation
- 115 Palladium
- 18 Catellani Reaction
- 18 Cobalt