Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 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 | |||
![]() | 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/c2 ts1c2_FBONIN_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -2859.85154772; Eh | |||
![]() | 5-Oct-2022 | /template-2/ts2_t2 ts2_c3_BFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3204.98954571; Eh | |||
![]() | 5-Oct-2022 | /template-2/ts2_t2 ts2_c2_BFINIA_t2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3204.99193835; 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 |
Results 161-170 of 278 (Search time: 0.001 seconds).
Discover
Subject
- 278 Olefination
- 278 Palladium
Method
- 12 RB3LYP