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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/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 | ||||
5-Oct-2022 | /template-3/ts2/OAc 1_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3195.54315370; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 49_ts2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3403.15684235; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 43_ts2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15036097; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 51_ts2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.14685564; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 27 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15062203; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 28 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15256126; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 24 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.14949621; Eh | ||||
5-Oct-2022 | /template-3/ts2/amide-du 20 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3403.15075011; Eh |
Results 21-30 of 115 (Search time: 0.001 seconds).