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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 48 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -614.914710089; Eh | |||
 | 23-Dec-2023 | /SO2Ph_CO2Bn_Comparison 56 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2TZVP | -614.914710089; Eh | |||
 | 23-Dec-2023 | /Reactant_Common_Intermediates 35 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -934.888830993; Eh | |||
 | 23-Dec-2023 | /Propagation anti_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -2291.64195331; Eh | |||
 | 23-Dec-2023 | /Reactant_Common_Intermediates Propellane | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -193.809781014; Eh | |||
 | 23-Dec-2023 | /Propagation syn_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -2291.64671906; Eh | |||
 | 23-Dec-2023 | /Propagation trans_17 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1832.19733056; Eh | |||
 | 23-Dec-2023 | /Propagation cis_17 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -1832.19871913; 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 | /Reactant_Common_Intermediates Pentane | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -197.571672436; Eh |
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