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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
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 | |||
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 |
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