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-3/ts1/c5 11_ts1c5_FBOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02070842; Eh | ||||
5-Oct-2022 | /template-3/ts1/c5 9_ts1c5_FFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02583593; Eh | ||||
5-Oct-2022 | /template-3/ts1/c5 12_ts1c5_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3058.01847682; Eh | ||||
5-Oct-2022 | /template-3/ts1/c5 16_ts1c5_BBOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -3061.4486698; Eh | ||||
5-Oct-2022 | /template-3/ts1/c5 14_ts1c5_BBIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN DEF2TZVPP | -3061.450836; Eh | ||||
5-Oct-2022 | /template-3/ts1/c5 15_ts1c5_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | GEN | -3058.03225996; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_BFINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02358075; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_BFOAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01321453; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_FBONIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.01519749; Eh | ||||
5-Oct-2022 | /template-3/ts1/c6 ts1c6_FFIAIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | GEN | -3058.02347851; Eh |
Results 11-20 of 278 (Search time: 0.001 seconds).
Discover
Method
- 12 RB3LYP