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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2018 | TS2x_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.17753074; Eh | |||
 | 15-Oct-2018 | TS2x_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.17840270; Eh | |||
 | 15-Oct-2018 | TS2x_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.17735022; Eh | |||
 | 15-Oct-2018 | TS2_4_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.21375227; Eh | |||
 | 15-Oct-2018 | TS2_6_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20800102; Eh | |||
 | 15-Oct-2018 | TS2_2_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20097450; Eh | |||
 | 15-Oct-2018 | TS1_4_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.22908917; Eh | |||
 | 15-Oct-2018 | TS1_6_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.21753519; Eh | |||
 | 15-Oct-2018 | TS1_2_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.23444828; Eh | |||
 | 30-Aug-2018 | small_basis_TS-B-5-6-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_ts | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31G* | -2262.72968229; Eh |
Results 11-20 of 71 (Search time: 0.003 seconds).