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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-3/ts1/c6 ts1c6_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01727949; Eh | ||||
5-Oct-2022 | /template-3/ts1/c7 ts1c7_BFININ | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01932928; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02078314; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_c5_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01500045; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_FBIAIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02296585; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_BBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02228157; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_FBONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01566163; Eh | ||||
5-Oct-2022 | /template-3/ts1/c3 ts1c3_BFINIA_t3 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02382865; Eh | ||||
5-Oct-2022 | /template-3/ts1/c3 ts1c3_FBININ | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02135282; Eh | ||||
5-Oct-2022 | /template-3/ts1/c3 ts1c3_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01830870; Eh |
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- 133 C-H activation
- 115 Palladium
- 18 Catellani Reaction
- 18 Cobalt