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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Dec-2023 | /Radical_addition_comparison 47 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -857.593429186; Eh | |||
 | 23-Dec-2023 | /Reactant_Common_Intermediates SF5Cl | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1356.65665357; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison 56 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -614.914710089; Eh | |||
 | 14-Jun-2024 | /def2SVP/wB97XD B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -347.658994019; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D) | -347.910287591; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D) | -347.912789718; Eh | |||
| 14-Jun-2024 | /631Gd/wB97XD B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D) | -347.910287591; Eh | |||
| 14-Jun-2024 | /def2SVP/wB97XD A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -347.660411301; Eh | |||
| 14-Jun-2024 | /wB97XD_def2TZVP B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -348.022006599; Eh | |||
| 14-Jun-2024 | /wB97XD_def2TZVP A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -348.025536398; Eh |
Results 31-40 of 41 (Search time: 0.002 seconds).