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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2018 | 2_TS1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1106.40054021; Eh | ||||
8-May-2018 | 2_MECP | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | lanl2dz; 6-31+g(d) | -1106.39879482; Eh | ||||
8-May-2018 | 3_MECP | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | lanl2dz; 6-31+g(d) | -1051.05514145; Eh | ||||
8-May-2018 | 1_TSp | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.81391529; Eh | ||||
8-May-2018 | 1_Int2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.82438737; Eh | ||||
8-May-2018 | 1_TS1b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1161.73611261; Eh | ||||
8-May-2018 | 1_P | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RM06 | lanl2dz; 6-31+g(d) | -1161.85797794; Eh | ||||
8-May-2018 | 1_TS1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1161.74199126; Eh | ||||
8-May-2018 | 1_Int1b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | lanl2dz; 6-31+g(d) | -1161.77429017; Eh | ||||
8-May-2018 | 1_Int0 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.76642489; Eh |
Results 31-40 of 41 (Search time: 0.002 seconds).