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 | 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 | ||||
8-May-2018 | 1_R_TD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-M06-FC | lanl2dz; 6-31+g(d) | -1011.53613937; Eh |
Results 131-137 of 137 (Search time: 0.002 seconds).