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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_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02347851; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01430077; 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/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_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01727949; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 26_crest_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01840241; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 ts1c4_c4_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01840257; 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_c7_BBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01483553; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 13_crest_TS_ | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02097525; Eh |
Results 21-30 of 267 (Search time: 0.002 seconds).
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Subject
- 153 Palladium
- 133 Olefination
- 83 Rhodium
- 65 C-C activation
- 38 Arynes
- 38 DFT
- 38 Homogeneous catalysis
- 26 Carbenes
- 26 Lactones
- 18 Catellani Reaction
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- 267 Gaussian