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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Aniline/Catalyzed/Water/2_Water/TS TS-Water | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -821.929548327; Eh | |||
/Aniline/Catalyzed/Water/2_Water/Product Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -821.990039150; Eh | |||
/Aniline/Catalyzed/Water/2_Water/AD AD | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -821.982125876; Eh |
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