Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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_R3-1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -956.115027329; 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 | 2_R3-2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -956.123187851; Eh | |||
 | 8-May-2018 | 1_3Int1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | lanl2dz; 6-31+g(d) | -1161.76718038; Eh | |||
 | 8-May-2018 | 1_Int3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -971.636685460; Eh | |||
 | 8-May-2018 | 3_R3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -900.782548687; Eh | |||
 | 8-May-2018 | 1_MECP | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | lanl2dz; 6-31+g(d) | -1161.73960331; 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_3TSD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.75415665; Eh |
Results 1-10 of 20 (Search time: 0.002 seconds).