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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 31_du_mpaa | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.14947830; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 40_ts2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15256127; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 45 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.14996914; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-dd 66 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15538133; Eh | ||||
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-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 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_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 |
Results 81-90 of 115 (Search time: 0.001 seconds).