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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-2/ts1_t2/c5 ts1_FFIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.86415849; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c3 ts1c3_BFOAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.0346221; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c4 ts1c4_BFOAIN_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.0329865; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c4 ts1c4_FFIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.033106; Eh | ||||
5-Oct-2022 | /template-2/ts4_t2 ts4_FFONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -3208.5992259; Eh | ||||
5-Oct-2022 | /template-2/ts4_t2 ts4_BFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3204.97978131; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FFIAIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.40535249; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FFINIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39658323; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FFONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39963770; Eh | ||||
5-Oct-2022 | /template-1/ts1/c5 ts1_FBONIA_t1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2781.39895738; Eh |
Results 101-110 of 115 (Search time: 0.001 seconds).