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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/Catalyzed/Water/2_Water/TS TS-Water | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -821.929548327; Eh | ||
 | /Aniline/Catalyzed/TBD/TS2_opt TS2-opt | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1107.80702412; Eh | ||
 | /Aniline/Catalyzed/TBD/TS1 TS1 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1107.78721681; Eh | ||
 | /Butylamine/Catalyzed/Water/2_Water/TS TS-2Water | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -748.175032788; Eh | ||
 | /Butylamine/Catalyzed/Water/1_Water/TS TS-Water | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -671.747244637; Eh | ||
 | /Butylamine/Catalyzed/TBD/TS2 TS2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1034.04349475; Eh | ||
 | /Butylamine/Catalyzed/TBD/TS1 TS1 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -1034.02109661; Eh | ||
 | /Butylamine/Uncatalyzed/TS TS | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -595.303333233; Eh |
Results 1-9 of 9 (Search time: 0.002 seconds).