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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | TS_RB1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -10672.0491569; Eh | ||
 | TS_RL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -10672.0531962; Eh | ||
 | TS_SB1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -10672.0544300; Eh | ||
 | TS_SL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -10672.0470841; Eh | ||
 | TS_LL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -11056.6895516; Eh | ||
 | TS_LL2_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -11056.6848352; Eh | ||
 | TS_ent_LL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -11056.6675045; Eh | ||
 | TS_entLL2_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | UB3LYP | DEF2SVP | -11056.6823961; Eh |
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