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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 SF5_Radical | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -897.404494084; Eh | |||
 | 2-Nov-2023 | /Comparison IM_1_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1833.11767492; Eh | |||
 | 2-Nov-2023 | /Comparison IM_4_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1512.37216686; Eh | |||
 | 2-Nov-2023 | /Comparison IM_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1833.08964080; Eh | |||
 | 2-Nov-2023 | /Comparison IM_4_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -1512.34510746; 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 | |||
 | 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 33 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | DEF2TZVP | -935.666741316; Eh | |||
 | 2-Nov-2023 | /Comparison TS_4_3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2TZVP | -1512.32498453; Eh |
Results 1-10 of 43 (Search time: 0.0 seconds).