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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 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_4_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32498453; 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 | |||
 | 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_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32498453; 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 | /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 |
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