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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Jun-2024 | /def2SVP/wB97XD TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -347.654781773; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.907728733; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.902552223; Eh | |||
| 14-Jun-2024 | /def2SVP/wB97XD TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -347.649812071; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -347.907797202; Eh | |||
| 14-Jun-2024 | /wB97XD_def2TZVP TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2TZVP | -348.020892574; Eh |
Results 171-176 of 176 (Search time: 0.001 seconds).