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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2018 | 4_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1129.61037053; Eh | ||||
8-May-2018 | 2_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1106.37109730; Eh | ||||
8-May-2018 | 1_TSD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1161.74941391; Eh | ||||
8-May-2018 | 4_TS2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1129.62268622; Eh | ||||
8-May-2018 | 1_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.71434669; Eh | ||||
8-May-2018 | 1_TS2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1161.72755759; Eh | ||||
8-May-2018 | 2_TS2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1106.38545882; Eh | ||||
8-May-2018 | 4_TS1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1129.61388097; Eh | ||||
8-May-2018 | 1_3TSD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.75415665; Eh | ||||
8-May-2018 | 4_TS1b | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | lanl2dz; 6-31+g(d) | -1129.60758854; Eh |
Results 1-10 of 14 (Search time: 0.002 seconds).