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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_BFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -3061.4515526; Eh | ||||
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/ts1/c4 ts1c4_c2_FFINIA | Fernandez, Gilberto | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01499384; Eh | ||||
5-Oct-2022 | /template-3/ts1/c3 ts1c3_BFINIA_t3 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02382865; Eh | ||||
5-Oct-2022 | /template-3/ts1/c4 38_FFONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | GEN | -3058.01534502; Eh | ||||
5-Oct-2022 | /template-3/ts1/c2 ts1c2_FFONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -3058.01517688; Eh | ||||
5-Oct-2022 | /template-3/ts1/c2 ts1c2_FBONIN | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RMN15 | 3-21G GEN | -3058.01943196; Eh | ||||
5-Oct-2022 | /template-3/ts2/OAc 17_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3195.54383546; Eh | ||||
5-Oct-2022 | /template-3/ts2/OAc 13_ts2_oac | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3195.54336059; Eh |
Results 41-50 of 278 (Search time: 0.001 seconds).