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. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Nov-2023 | /Comparison TS_4_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32498453; Eh | ||||
2-Nov-2023 | /Comparison TS_4_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32410969; Eh | ||||
2-Nov-2023 | /Comparison TS_1_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1833.07382977; Eh | ||||
2-Nov-2023 | /Comparison TS_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1833.06182902; Eh | ||||
12-Aug-2023 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1870.77622092; Eh | ||||
12-Aug-2023 | TS1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1831.48660760; Eh | ||||
12-Aug-2023 | TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1754.18216446; Eh | ||||
23-Dec-2023 | /Radical_addition_comparison TS5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1754.18216446; Eh | ||||
23-Dec-2023 | /Initiation_TS TS_Initiation | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -2291.50651880; Eh | ||||
23-Dec-2023 | /SO2Ph_CO2Bn_Comparison TS_1_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1833.07382977; Eh |
Results 1-10 of 20 (Search time: 0.001 seconds).
Discover
Program name
- 20 Gaussian