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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 INT3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2SVP | -1870.83767693; Eh | |||
 | 23-Dec-2023 | /Radical_addition_comparison INT4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2SVP | -1754.20140093; 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 | /Reactant_Common_Intermediates SF5_Radical | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2SVP | -896.585999305; 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 SF5_Radical | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -897.404494084; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison INT2_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1833.11767492; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison INT2_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1833.08964080; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison INT5_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1512.37216686; Eh |
Results 31-40 of 43 (Search time: 0.001 seconds).