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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Dec-2023 | /Propagation TS2_syn | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -3188.18183900; Eh | |||
 | 23-Dec-2023 | /Propagation TS2_anti | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -3188.18277731; Eh | |||
 | 23-Dec-2023 | /Propagation TS3_cis | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -2029.09633421; Eh | |||
 | 23-Dec-2023 | /Propagation TS3_trans | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -2029.09563022; Eh | |||
 | 23-Dec-2023 | /Propagation TS1_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1831.48660760; Eh | |||
 | 23-Dec-2023 | /Propagation TS1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1831.47738334; Eh | |||
 | 23-Dec-2023 | /Radical_addition_comparison TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1870.77622092; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison TS_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1833.06182902; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison TS_6_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32410969; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison TS_6_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32498453; Eh |
Results 11-20 of 20 (Search time: 0.001 seconds).