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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Aniline/Uncatalyzed/TS TS | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -669.055307491; Eh | |||
/Aniline/Uncatalyzed/Product Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -669.111827429; Eh | |||
/Aniline/Uncatalyzed/AD AD | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -669.119578864; Eh | |||
/Aniline/Catalyzed/TBD/Final_Product Final-Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -669.107612504; Eh |
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