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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2018 | 1_Int1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.78191466; Eh | ||||
8-May-2018 | 1_R3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1011.46459979; Eh | ||||
8-May-2018 | 4_MECP | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | lanl2dz; 6-31+g(d) | -1129.61654298; Eh | ||||
8-May-2018 | 4_R3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -979.361994222; Eh | ||||
8-May-2018 | 4_R_TD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06; TD-FC | lanl2dz; 6-31+g(d) | -979.424294427; 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_Int0 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.76642489; Eh |
Results 11-20 of 162 (Search time: 0.002 seconds).