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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 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_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_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_Int1 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.78191466; Eh | |||
![]() | 8-May-2018 | 1_R3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1011.46459979; Eh | |||
![]() | 8-May-2018 | 4_R3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -979.361994222; Eh | |||
![]() | 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_Int0 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | lanl2dz; 6-31+g(d) | -1161.76642489; Eh |
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