Browsing by Author Ohanessian, Gilles
Showing results 1 to 9 of 9
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Apr-2023 | W12-1a-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.785988; Eh | |||
 | 17-Apr-2023 | W12-1a-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59716653; Eh | |||
 | 17-Apr-2023 | W12-1b-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7859833; Eh | |||
 | 17-Apr-2023 | W12-1b-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59716460; Eh | |||
 | 17-Apr-2023 | W12-1c-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59701743; Eh | |||
 | 17-Apr-2023 | W12-1c-m1ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7852914; Eh | |||
 | 17-Apr-2023 | W12-1d-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7839386; Eh | |||
 | 17-Apr-2023 | W12-2-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7821137; Eh | |||
 | 17-Apr-2023 | W12-2-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59361912; Eh |