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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Aniline/Catalyzed/TBD/TS2_freq TS2-freq | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1107.80702412; Eh | ||
 | /Aniline/Catalyzed/TBD/Int2 Int2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1107.80267324; Eh | ||
 | /Aniline/Catalyzed/TBD/Final_Product Final-Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -669.107612504; Eh | ||
 | /Aniline/Catalyzed/TBD/Int3 Int3 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1107.80716653; Eh | ||
 | /Butylamine/Catalyzed/TBD/Scan Scan | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RPM6 | - | -0.280438686170; Eh |
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