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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 22-Jun-2024 | TS7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.801359428; Eh | ||||
| 22-Jun-2024 | TS6 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.783147960; Eh | ||||
| 22-Jun-2024 | TS5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RCAM-B3LYP | 6-31G(D) | -347.797953345; Eh | ||||
| 22-Jun-2024 | BC8H9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -334.841724679; Eh | ||||
| 22-Jun-2024 | 1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -424.210660434; Eh | ||||
| 22-Jun-2024 | A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP | 6-31G(D) | -347.814456817; Eh |
Results 21-26 of 26 (Search time: 0.001 seconds).