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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Butylamine/Catalyzed/Water/1_Water/TS TS-Water | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -671.747244637; Eh | |||
/Butylamine/Catalyzed/Water/1_Water/AD AD | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -671.778638701; Eh | |||
/Butylamine/Catalyzed/Water/1_Water/Product Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -671.796785469; Eh |
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