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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/ts1/c5 ts1_FFONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39963770; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FBONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39895738; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39658323; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FFOAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -2781.39868353; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_BFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39898437; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_BBINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39899034; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FBIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.40014720; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FBINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39414503; Eh | ||||
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 |
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- 133 C-H activation
- 115 Palladium
- 18 Catellani Reaction
- 18 Cobalt