Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
F_TS5_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -4606.34165727; Eh | |||
F_TS5_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -4606.34822619; Eh | |||
BCF | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | RwB97XD | DEF2SVPP | -2205.97668995; Eh | |||
IM1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -2982.42649547; Eh | |||
IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -2982.41702142; Eh | |||
IM2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3737.52404775; Eh | |||
IM3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3737.57588150; Eh | |||
IM4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -1022.72367884; Eh | |||
IM5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3228.73197420; Eh | |||
IM6 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3228.77516039; Eh | |||
IM7_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.86165778; Eh | |||
IM7_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.86108987; Eh | |||
IM8_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.88140049; Eh | |||
IM8_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.87620942; Eh | |||
P_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -1269.02833829; Eh | |||
P_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -1269.03199752; Eh | |||
Reactant_Cyclopropene | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -776.407554620; Eh | |||
Reactant_Silyl_enol_ether | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -755.076227481; Eh | |||
TMSF | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -508.835337593; Eh | |||
TS1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -2982.40748664; Eh | |||
TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3737.52068499; Eh | |||
TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3737.57285216; Eh | |||
TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3228.73183611; Eh | |||
TS5_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.85002407; Eh | |||
TS5_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.85551040; Eh |
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