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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_BBONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.85090079; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c5 ts1_FFOAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.85906410; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c5 ts1_FFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.85741646; Eh | ||||
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/c5 ts1_BFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.86261395; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c6 ts1c6_FBONIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.0363154; Eh | ||||
5-Oct-2022 | /template-2/ts1_t2/c7 ts1c7_BFONIN_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.0224868; 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/ts1_t2/c5 ts1_FBIAIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -2863.0376342; 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 |
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- 115 Olefination
- 115 Palladium
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- 115 Gaussian