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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Apr-2021 | TS_entLL2_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -11056.6823961; Eh | |||
 | 12-Apr-2021 | TS_ent_LL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -11056.6675045; Eh | |||
 | 12-Apr-2021 | TS_LL2_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -11056.6848352; Eh | |||
 | 12-Apr-2021 | TS_LL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -11056.6895516; Eh | |||
 | 12-Apr-2021 | TS_SL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -10672.0470841; Eh | |||
 | 12-Apr-2021 | TS_SB1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -10672.0544300; Eh | |||
 | 12-Apr-2021 | TS_RL1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -10672.0531962; Eh | |||
 | 12-Apr-2021 | TS_RB1_freq | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | UB3LYP | DEF2SVP | -10672.0491569; Eh | |||
 | 21-Jul-2020 | Styrene_oxide | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -384.589922332; Eh | |||
 | 21-Jul-2020 | TAMOF | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -10000.0130099; Eh |
Results 1-10 of 44 (Search time: 0.001 seconds).