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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/ts2/amide-du 2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15518209; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 79 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15806510; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 47 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15911137; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd ts2_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3403.17169416; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 54 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15627484; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd ts2_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15955392; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd ts2_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.16208432; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 5 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15705334; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3403.16136129; Eh | |||
 | 5-Oct-2022 | /template-3/ts2/amide-dd 1_2ts2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3403.15836372; Eh |
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- 285 C-H activation