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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jul-2020 | TS1-B-uncat | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -671.973765831; Eh | |||
 | 21-Jul-2020 | TS1-L-uncat | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -671.977170529; Eh | |||
 | 21-Jul-2020 | TS2-RL1-R-uncat | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -1056.61418431; Eh | |||
 | 21-Jul-2020 | TS2-RL1-S-uncat | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -1056.61794407; Eh | |||
 | 21-Jul-2020 | TS2-SL1-R-uncat | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -1056.61898925; Eh | |||
 | 21-Jul-2020 | TS2-SL1-S-uncat | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | DEF2SVP | -1056.61420819; Eh |
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