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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_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 | 5_2_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1247.71853198; 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 | 3_6_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.26591239; Eh | ||||
15-Oct-2018 | 6_6_b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1247.80114786; 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 |
Results 21-30 of 66 (Search time: 0.001 seconds).