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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 | W12-2-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7821137; 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 | W12-1c-m1ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7852914; Eh | ||||
17-Apr-2023 | W12-1b-m11ext | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RM11 | AUG-CC-PVTZ | -1616.7859833; Eh |
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