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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 50 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15602991; Eh | |||
 | 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/ts3 ts3_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP GEN | -3403.15823263; 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 | |||
 | 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/ts3 ts3_FFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.16122621; Eh | |||
 | 5-Oct-2022 | /template-3/ts3 ts3_BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.16565749; Eh | |||
 | 5-Oct-2022 | /template-3/int1 14_FFIAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2TZVPP | -2498.1433152; Eh | |||
 | 5-Oct-2022 | /template-3/int1 13_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.25963173; Eh | |||
 | 5-Oct-2022 | /template-3/int1 10_BBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -2495.27008179; Eh |
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- 285 C-H activation
- 285 Olefination